Molecule

ID:73874

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇ClN₂
Molecular Mass
164.67628
Exact Mass
164.10802623
Charge
0
InChI
InChI=1S/C7H16N2.ClH/c8-9-6-7-4-2-1-3-5-7;/h7,9H,1-6,8H2;1H
InChIKey
XMAOWYFYWHQTRZ-UHFFFAOYSA-N
Canonic Smiles
NNCC1CCCCC1.Cl
Isomeric Smiles
N(CC1CCCCC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.76816946
LogD (pH = 7.4)
1.2910848
Log P
1.3041689
Molar Refractivity
50.6407
Polarizability
15.758498
Polar Surface Area
38.05
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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