Molecule

ID:23064

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O
Molecular Mass
260.71882
Exact Mass
260.07164073
Charge
0
InChI
InChI=1S/C14H13ClN2O/c15-11-3-1-10(2-4-11)9-14(18)17-13-7-5-12(16)6-8-13/h1-8H,9,16H2,(H,17,18)
InChIKey
LOQYVASURVPRNO-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N)Cc1ccc(cc1)Cl
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)Cc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
15.600716
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8088093
LogD (pH = 7.4)
2.8202667
Log P
2.8204148
Molar Refractivity
75.1481
Polarizability
27.799252
Polar Surface Area
55.12
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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