Pinnaic acid
AlkaPlorer ID: AK310458
Synonym: None
IUPAC Name: None
Structure
SMILES: C/C(=C\CC1CCCC2(CCCC2C(C)/C=C/C(O)/C=C(\Cl)CCO)N1)C(=O)O
InChI: InChI=1S/C23H36ClNO4/c1-16(8-10-20(27)15-18(24)11-14-26)21-6-4-13-23(21)12-3-5-19(25-23)9-7-17(2)22(28)29/h7-8,10,15-16,19-21,25-27H,3-6,9,11-14H2,1-2H3,(H,28,29)/b10-8+,17-7+,18-15-
InChIKey: AASNHMKFRLWUOJ-ZCCCKDDQSA-N
Reference
CAS: 178115-91-8
Source
Properties Information
Molecule Weight: 425.9970000000001
TPSA？: 89.79
MolLogP？: 4.146700000000002
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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