Molecule

ID:58799

General Information
Structure
Molecular Formula
C₁₉H₁₆N₂O₂
Molecular Mass
304.34254
Exact Mass
304.12117776
Charge
0
InChI
InChI=1S/C19H16N2O2/c1-21-15(13-8-4-2-5-9-13)12-16(22)17(19(21)23)18(20)14-10-6-3-7-11-14/h2-12H,20H2,1H3/b18-17+
InChIKey
INTGZJXXSSEIDV-ISLYRVAYSA-N
Canonic Smiles
O=C1C=C(c2ccccc2)N(C(=O)/C/1=C(\c1ccccc1)/N)C
Isomeric Smiles
C1=C(N(C(=O)/C(=C(\c2ccccc2)/N)/C1=O)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8965485
LogD (pH = 7.4)
1.8967965
Log P
1.8967996
Molar Refractivity
91.8979
Polarizability
34.163036
Polar Surface Area
63.4
Rotatable Bonds
2
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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