UCSF

ZINC04410593

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 11 Yes

Popular Name: (S)-cis-verbenol (S)-cis-verbenol

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CAS Number: 18881-04-4

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) 2.63 -0.49 -2.42 1 1 0 20 152.237 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 59 - 66 Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
PUBCHEM_PATENT_ID US5280039 IBM Patent Data
Hazard XI: Irritant Acros Organics

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