Molecule

ID:23349

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c16-13-6-3-5-12(10-13)15(18)17-9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9,16H2
InChIKey
IMSWSKYWTRVQCW-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)N1CCc2c1cccc2
Isomeric Smiles
N1(C(=O)c2cc(N)ccc2)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1384592
LogD (pH = 7.4)
2.140138
Log P
2.1401591
Molar Refractivity
72.7174
Polarizability
27.034418
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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