Molecule

ID:48549

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O
Molecular Mass
260.71882
Exact Mass
260.07164073
Charge
0
InChI
InChI=1S/C14H13ClN2O/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-16-13(12)15/h2-9H,10H2,1H3
InChIKey
QSASVEMYSWJRJE-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1cccnc1Cl)Cc1ccccc1
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6022594
LogD (pH = 7.4)
2.6022608
Log P
2.6022608
Molar Refractivity
73.2516
Polarizability
27.484072
Polar Surface Area
33.2
Rotatable Bonds
3
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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