Molecule

ID:18654

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N
Molecular Mass
175.27008
Exact Mass
175.13609955
Charge
0
InChI
InChI=1S/C12H17N/c1-8-5-4-6-11-9(2)7-10(3)13-12(8)11/h4-6,9-10,13H,7H2,1-3H3
InChIKey
WHMVYUBNTUXFMP-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C)c2c(N1)c(C)ccc2
Isomeric Smiles
c12NC(CC(c1cccc2C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0757325
LogD (pH = 7.4)
3.146515
Log P
3.1474967
Molar Refractivity
58.171
Polarizability
21.671001
Polar Surface Area
12.03
Rotatable Bonds
0
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