Molecule

ID:23124

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O
Molecular Mass
274.7454
Exact Mass
274.08729079
Charge
0
InChI
InChI=1S/C15H15ClN2O/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,17H2,(H,18,19)
InChIKey
YNYOLUIDHONVQF-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)N)Cl)CCc1ccccc1
Isomeric Smiles
c1(cc(NC(=O)CCc2ccccc2)ccc1Cl)N
Calculated Properties
JChem
Acid pKa
14.068573
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2645853
LogD (pH = 7.4)
3.2649782
Log P
3.2649834
Molar Refractivity
79.7491
Polarizability
29.644848
Polar Surface Area
55.12
Rotatable Bonds
4
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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