Molecule

ID:74373

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN
Molecular Mass
147.64576
Exact Mass
147.08147713
Charge
0
InChI
InChI=1S/C7H13N.ClH/c8-7(5-1-2-5)6-3-4-6;/h5-7H,1-4,8H2;1H
InChIKey
BWWAFTOJAINBHN-UHFFFAOYSA-N
Canonic Smiles
NC(C1CC1)C1CC1.Cl
Isomeric Smiles
NC(C1CC1)C1CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0334065
LogD (pH = 7.4)
-1.7871872
Log P
0.9954628
Molar Refractivity
33.473
Polarizability
13.705201
Polar Surface Area
26.02
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