Molecule

ID:48538

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O
Molecular Mass
238.7133
Exact Mass
238.08729079
Charge
0
InChI
InChI=1S/C12H15ClN2O/c1-9-5-2-3-8-15(9)12(16)10-6-4-7-14-11(10)13/h4,6-7,9H,2-3,5,8H2,1H3
InChIKey
FJJONAHGVJUXRU-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1C(=O)c1cccnc1Cl
Isomeric Smiles
C(=O)(N1C(C)CCCC1)c1c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1447275
LogD (pH = 7.4)
2.144729
Log P
2.144729
Molar Refractivity
65.1998
Polarizability
24.548115
Polar Surface Area
33.2
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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