Molecule

ID:102760

General Information
Structure
MolImage
Molecular Formula
C₂₉H₄₈O
Molecular Mass
412.69082
Exact Mass
412.37051616
Charge
0
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3
InChIKey
HCXVJBMSMIARIN-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C)C)/C=C/C(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C
Isomeric Smiles
CCC(/C=C/C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
Calculated Properties
JChem
Acid pKa
18.20429
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.482555
LogD (pH = 7.4)
7.482555
Log P
7.482555
Molar Refractivity
130.8827
Polarizability
51.43686
Polar Surface Area
20.23
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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