Molecule

ID:50197

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-3,5-6,13-14H,4,7-11H2
InChIKey
OIBFPCCMZAPUMH-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCc1ccccc1
Isomeric Smiles
N1CC(CCc2ccccc2)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.18897349
LogD (pH = 7.4)
0.18535429
Log P
3.0454018
Molar Refractivity
60.604
Polarizability
24.007406
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
1
H Donor
1
Log P
3.4
LOG S
-2.48
Polar Surface Area
12.03
Rotatable Bonds
3
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