Molecule
ID:108153
General Information
Molecular Formula
C₁₈H₁₂N₂O₄
Molecular Mass
320.29888
Exact Mass
320.07970687
Charge
0
InChI
InChI=1S/C18H12N2O4/c21-15-11-5-1-2-6-12(11)16(22)19(15)9-10-20-17(23)13-7-3-4-8-14(13)18(20)24/h1-8H,9-10H2
InChIKey
MSNBDDJGCNYFNM-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
Isomeric Smiles
O=C1N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc12
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6626732
LogD (pH = 7.4)
1.6626732
Log P
1.6626732
Molar Refractivity
86.454
Polarizability
31.269753
Polar Surface Area
74.76
Rotatable Bonds
3
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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