Molecule

ID:17755

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClN
Molecular Mass
177.7148
Exact Mass
177.12842733
Charge
0
InChI
InChI=1S/C9H19N.ClH/c1-9(2,3)8-4-6-10-7-5-8;/h8,10H,4-7H2,1-3H3;1H
InChIKey
RWQQDIHTYQYXDX-UHFFFAOYSA-N
Canonic Smiles
CC(C1CCNCC1)(C)C.Cl
Isomeric Smiles
C1C(CCNC1)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2554078
LogD (pH = 7.4)
-0.7980489
Log P
1.9761417
Molar Refractivity
45.0087
Polarizability
18.13941
Polar Surface Area
12.03
Rotatable Bonds
1
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