Molecule
ID:120561
General Information
Molecular Formula
C₁₆H₁₅ClN₂O
Molecular Mass
286.7561
Exact Mass
286.08729079
Charge
0
InChI
InChI=1S/C16H15ClN2O/c1-9(2)10-4-6-15-14(8-10)19-16(20-15)11-3-5-12(17)13(18)7-11/h3-9H,18H2,1-2H3
InChIKey
UUCACZHYLIUZBP-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc2c(c1)nc(o2)c1ccc(c(c1)N)Cl)C
Isomeric Smiles
n1c(oc2c1cc(cc2)C(C)C)c1cc(c(cc1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.364655
LogD (pH = 7.4)
4.3647623
Log P
4.3647637
Molar Refractivity
91.5207
Polarizability
32.57242
Polar Surface Area
52.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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