UCSF

ZINC44361827

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 11 No

Popular Name: mCPBA mCPBA

Find On: PubMed — Wikipedia — Google

CAS Number: 937-14-4

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 3.03 -7.82 1 3 0 47 172.567 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 64-66? Alfa-Aesar
Melting_Point 64-66° Alfa-Aesar
Mp [°C] 92 - 94 Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H242: Heating may cause a fire Acros Organics
Hazard O: Oxidizing Acros Organics
Hazard O: Oxidizing; C: Corrosive Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R7: May cause fire. Acros Organics
R phrase R7: May cause fire.; R22: Harmful if swallowed.; R34: Causes burns. Acros Organics
S phrase S17: Keep away from combustible material. Acros Organics
S phrase S17: Keep away from combustible material.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if yo Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.