UCSF

ZINC02548127

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Popular Name: (R)-(+)-1-Phenylpropylisocyanate (R)-(+)-1-Phenylpropylisocyanate

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CAS Numbers: 164033-11-8 , 164033-12-9

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) 2.53 0.94 -3.02 0 2 0 29 161.204 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0398749A2 IBM Patent Data

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