Molecule
ID:121274
General Information
Molecular Formula
C₁₅H₁₃ClN₂
Molecular Mass
256.73012
Exact Mass
256.07672611
Charge
0
InChI
InChI=1S/C15H13ClN2/c16-13-3-1-11(2-4-13)10-18-8-7-12-9-14(17)5-6-15(12)18/h1-9H,10,17H2
InChIKey
OHQVDMFNZONNJR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cn1ccc2c1ccc(c2)N
Isomeric Smiles
n1(c2c(cc1)cc(cc2)N)Cc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7894354
LogD (pH = 7.4)
3.7952018
Log P
3.7952757
Molar Refractivity
76.159
Polarizability
29.919151
Polar Surface Area
30.95
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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