Molecule

ID:127068

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂O₂
Molecular Mass
340.49898
Exact Mass
340.24023026
Charge
0
InChI
InChI=1S/C23H32O2/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4/h14-15,17-19,25H,6-8,10-13H2,1-4H3/t15-,17+,18-,19-,21+,22-,23-/m0/s1
InChIKey
LVHOURKCKUYIGK-RGUJTQARSA-N
Canonic Smiles
CC#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H](C2=CC(=O)CC[C@]12C)C
Isomeric Smiles
CC#C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2C[C@@H](C2=CC(=O)CC[C@]12C)C)C)O
Calculated Properties
JChem
Acid pKa
17.841623
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.640724
LogD (pH = 7.4)
4.640724
Log P
4.640724
Molar Refractivity
101.949
Polarizability
39.53444
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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