Molecule

ID:110225

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₂O₂
Molecular Mass
328.48828
Exact Mass
328.24023026
Charge
0
InChI
InChI=1S/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12-13,17-20H,5-11H2,1-4H3/t13-,17+,18-,19-,20+,21-,22-/m0/s1
InChIKey
JYYRDDFNMDZIIP-HQJDTPGISA-N
Canonic Smiles
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]([C@@H]2C(=O)C)C)C)C
Isomeric Smiles
[C@@H]12CCC3=CC(=O)CC[C@]3(C)[C@H]1CC[C@]1(C)[C@H]([C@@H](C)C[C@@H]21)C(=O)C
Calculated Properties
JChem
Acid pKa
18.904993
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4356236
LogD (pH = 7.4)
4.4356236
Log P
4.4356236
Molar Refractivity
97.2539
Polarizability
38.242718
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation