Molecule

ID:23428

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O
Molecular Mass
260.71882
Exact Mass
260.07164073
Charge
0
InChI
InChI=1S/C14H13ClN2O/c1-9-2-7-12(8-13(9)15)17-14(18)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3,(H,17,18)
InChIKey
ARSLCHGPNLRBBS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)Nc1ccc(c(c1)Cl)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)C)Cl)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.084301
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.3530042
LogD (pH = 7.4)
3.353654
Log P
3.3536708
Molar Refractivity
76.1379
Polarizability
27.70205
Polar Surface Area
55.12
Rotatable Bonds
2
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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