Molecule

ID:126427

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₄O₂
Molecular Mass
342.51486
Exact Mass
342.25588033
Charge
0
InChI
InChI=1S/C23H34O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h4,11,15-20H,3,5-10,12-14H2,1-2H3/t15-,16?,17-,18+,19+,20-,22-,23+/m0/s1
InChIKey
NMLOFHCUVXKTGV-OCYOQFCJSA-N
Canonic Smiles
O=C1OC[C@H](C1)[C@H]1CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)C=CCC2
Isomeric Smiles
C[C@]12C=CCCC1CC[C@H]1[C@H]3CC[C@@H]([C@@]3(C)CC[C@H]21)[C@H]1CC(=O)OC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.908045
LogD (pH = 7.4)
4.908045
Log P
4.908045
Molar Refractivity
100.8869
Polarizability
39.976078
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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