Molecule

ID:21872

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClN
Molecular Mass
163.68822
Exact Mass
163.11277726
Charge
0
InChI
InChI=1S/C8H17N.ClH/c1-2-7-9-8-5-3-4-6-8;/h8-9H,2-7H2,1H3;1H
InChIKey
NPRACTLCVYPJPE-UHFFFAOYSA-N
Canonic Smiles
CCCNC1CCCC1.Cl
Isomeric Smiles
N(C1CCCC1)CCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1976566
LogD (pH = 7.4)
-0.99965966
Log P
2.0411537
Molar Refractivity
40.3792
Polarizability
16.292534
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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