Molecule

ID:72209

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N
Molecular Mass
113.2007
Exact Mass
113.12044949
Charge
0
InChI
InChI=1S/C7H15N/c1-6-4-5-7(2,3)8-6/h6,8H,4-5H2,1-3H3
InChIKey
KYJPHSGZNHRHDB-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(N1)(C)C
Isomeric Smiles
C1(NC(CC1)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.9147974
LogD (pH = 7.4)
-1.8716825
Log P
1.3266457
Molar Refractivity
35.7102
Polarizability
14.445701
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