Molecule

ID:90079

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3/t9-/m0/s1
InChIKey
KFUSXMDYOPXKKT-VIFPVBQESA-N
Canonic Smiles
Cc1ccccc1OC[C@@H]1CO1
Isomeric Smiles
O(c1c(cccc1)C)C[C@@H]1CO1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1702626
LogD (pH = 7.4)
2.1702626
Log P
2.1702626
Molar Refractivity
46.3071
Polarizability
18.255482
Polar Surface Area
21.76
Rotatable Bonds
3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation