Molecule

ID:55745

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClN
Molecular Mass
149.66164
Exact Mass
149.0971272
Charge
0
InChI
InChI=1S/C7H15N.ClH/c1-6(2,3)7(8)4-5-7;/h4-5,8H2,1-3H3;1H
InChIKey
YCIHCXGGDGEBFG-UHFFFAOYSA-N
Canonic Smiles
CC(C1(N)CC1)(C)C.Cl
Isomeric Smiles
C1C(C1)(C(C)(C)C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6337488
LogD (pH = 7.4)
-1.1098773
Log P
1.3861784
Molar Refractivity
35.1619
Polarizability
14.445701
Polar Surface Area
26.02
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