Molecule

ID:77887

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O
Molecular Mass
250.29516
Exact Mass
250.11061308
Charge
0
InChI
InChI=1S/C16H14N2O/c1-18(2)11-13(10-17)16(19)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,11H,1-2H3
InChIKey
KVFHVEAEKGPARU-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C\N(C)C)/C(=O)c1cccc2c1cccc2
Isomeric Smiles
O=C(c1c2c(ccc1)cccc2)/C(=C/N(C)C)/C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6764112
LogD (pH = 7.4)
2.676555
Log P
2.6765566
Molar Refractivity
76.3168
Polarizability
29.718689
Polar Surface Area
44.1
Rotatable Bonds
3
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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