Molecule

ID:60223

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClNO₂
Molecular Mass
175.6128
Exact Mass
175.04000625
Charge
0
InChI
InChI=1S/C7H10ClNO2/c1-2-9-4-5(7(8)11)3-6(9)10/h5H,2-4H2,1H3
InChIKey
NLMGIWPPOHBGLL-UHFFFAOYSA-N
Canonic Smiles
CCN1CC(CC1=O)C(=O)Cl
Isomeric Smiles
N1(CC(CC1=O)C(=O)Cl)CC
Calculated Properties
JChem
Acid pKa
17.641607
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.08714372
LogD (pH = 7.4)
-0.08714366
Log P
-0.08714366
Molar Refractivity
41.8476
Polarizability
16.145073
Polar Surface Area
37.38
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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