Molecule

ID:128237

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂O₂
Molecular Mass
340.49898
Exact Mass
340.24023026
Charge
0
InChI
InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1
InChIKey
HCFSGRMEEXUOSS-JXEXPEPMSA-N
Canonic Smiles
O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)C(=O)C)C)C)C
Isomeric Smiles
O=C1C=C2C(=C[C@@H]3[C@H](CC[C@@]4([C@@](C(=O)C)(CC[C@@H]34)C)C)[C@@]2(C)CC1)C
Calculated Properties
JChem
Acid pKa
19.184437
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.586058
LogD (pH = 7.4)
4.586058
Log P
4.586058
Molar Refractivity
102.6049
Polarizability
39.84856
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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