Molecule

ID:33080

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClN
Molecular Mass
175.69892
Exact Mass
175.11277726
Charge
0
InChI
InChI=1S/C9H17N.ClH/c1-2-4-8(5-3-1)10-9-6-7-9;/h8-10H,1-7H2;1H
InChIKey
BHEJSAFRFRRXIR-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)NC1CC1.Cl
Isomeric Smiles
C1(CC1)NC1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1618328
LogD (pH = 7.4)
-0.7688861
Log P
2.0719566
Molar Refractivity
42.9188
Polarizability
17.397926
Polar Surface Area
12.03
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