Molecule

ID:48701

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClN₂O
Molecular Mass
164.63322
Exact Mass
164.07164073
Charge
0
InChI
InChI=1S/C6H12N2O.ClH/c7-5-6(9)8-3-1-2-4-8;/h1-5,7H2;1H
InChIKey
NGAVFGYUPVIDBM-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N1CCCC1.Cl
Isomeric Smiles
N1(C(=O)CN)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.589197
LogD (pH = 7.4)
-1.9051137
Log P
-1.1012685
Molar Refractivity
35.16
Polarizability
13.794192
Polar Surface Area
46.33
Rotatable Bonds
1
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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