Molecule

ID:60141

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂O₂
Molecular Mass
270.36608
Exact Mass
270.16197994
Charge
0
InChI
InChI=1S/C18H22O2/c1-11-2-15(10-19)17(20)16(3-11)18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,10,12-14,20H,4-9H2,1H3
InChIKey
OWOMHMMDYAHLEY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(C)cc(c1O)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C2)C3)c1cc(cc(c1O)C=O)C
Calculated Properties
JChem
Acid pKa
9.34598
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.8941846
LogD (pH = 7.4)
4.889388
Log P
4.894246
Molar Refractivity
80.3722
Polarizability
30.74315
Polar Surface Area
37.3
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation