Molecule

ID:89539

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇ClN₂
Molecular Mass
164.67628
Exact Mass
164.10802623
Charge
0
InChI
InChI=1S/C7H16N2.ClH/c1-2-5-9-6-3-8-4-7-9;/h8H,2-7H2,1H3;1H
InChIKey
QFCLTBGHRZKNGY-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCNCC1.Cl
Isomeric Smiles
N1(CCNCC1)CCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.03253
LogD (pH = 7.4)
-1.7622564
Log P
0.5335715
Molar Refractivity
40.0161
Polarizability
15.965017
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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