Molecule
ID:113649
General Information
Molecular Formula
C₁₃H₁₂N₂O
Molecular Mass
212.24718
Exact Mass
212.09496301
Charge
0
InChI
InChI=1S/C13H12N2O/c1-2-15-11-7-6-10(14)8-4-3-5-9(12(8)11)13(15)16/h3-7H,2,14H2,1H3
InChIKey
LZXPPDSORWBMRR-UHFFFAOYSA-N
Canonic Smiles
CCn1c(=O)c2c3c1ccc(c3ccc2)N
Isomeric Smiles
n1(c(=O)c2c3c1ccc(c3ccc2)N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4700024
LogD (pH = 7.4)
1.4732678
Log P
1.4733096
Molar Refractivity
64.5486
Polarizability
24.971489
Polar Surface Area
46.33
Rotatable Bonds
1
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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