Molecule

ID:48552

General Information
Structure
Molecular Formula
C₁₅H₁₃ClN₂O
Molecular Mass
272.72952
Exact Mass
272.07164073
Charge
0
InChI
InChI=1S/C15H13ClN2O/c16-14-13(6-3-8-17-14)15(19)18-9-7-11-4-1-2-5-12(11)10-18/h1-6,8H,7,9-10H2
InChIKey
QDKPTCHYUCZQSW-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1C(=O)N1CCc2c(C1)cccc2
Isomeric Smiles
C(=O)(N1Cc2c(CC1)cccc2)c1c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.642148
LogD (pH = 7.4)
2.6421492
Log P
2.6421492
Molar Refractivity
76.5612
Polarizability
28.595535
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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