Molecule

ID:48543

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O
Molecular Mass
238.7133
Exact Mass
238.08729079
Charge
0
InChI
InChI=1S/C12H15ClN2O/c13-11-10(6-5-7-14-11)12(16)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2
InChIKey
FNTRKDKOYDHUTN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)N1CCCCCC1
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N1CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.172721
LogD (pH = 7.4)
2.1727223
Log P
2.1727226
Molar Refractivity
65.382
Polarizability
24.548134
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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