In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 4th, 2005 | 15 | Yes |
Popular Name: (+/-)-Jasmonic acid (+/-)-Jasmonic acid
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CAS Numbers: 221682-41-3 , 77026-92-7
(+)-jasmonate; (3S,7S) (+)-jasmonate; CPD-5943
(+-)7epi JASMONIC ACID; [3572-66-5]
(-)-7-iso-JA; (-)-7-iso-jasmonate; (3S,7R)-(-)-7-iso-jasmonate; CPD-5941
(1S,2S)-3-oxo-2-(pent-2Z-enyl)- cyclopentaneacetic acid
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) | 1.81 | 6.95 | -43.05 | 0 | 3 | -1 | 57 | 209.265 | 5 | ↓ |