UCSF

ZINC02149539

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 17 No

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) 4.71 2.49 -6.61 0 2 0 20 233.355 8

Vendor Notes

Note Type Comments Provided By
BP [°C] 148 (p=1 torr) Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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