Molecule

ID:22960

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O
Molecular Mass
274.7454
Exact Mass
274.08729079
Charge
0
InChI
InChI=1S/C15H15ClN2O/c1-10-13(17)3-2-4-14(10)18-15(19)9-11-5-7-12(16)8-6-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
BKZLDOWLVHNAOA-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1C)N)Cc1ccc(cc1)Cl
Isomeric Smiles
c1(c(NC(=O)Cc2ccc(Cl)cc2)cccc1N)C
Calculated Properties
JChem
Acid pKa
14.065854
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.324675
LogD (pH = 7.4)
3.3337195
Log P
3.333836
Molar Refractivity
80.1893
Polarizability
29.564775
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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