Molecule

ID:91806

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆N₂O₅
Molecular Mass
364.35144
Exact Mass
364.10592162
Charge
0
InChI
InChI=1S/2C10H7NO2.H2O/c2*11-8-5-9(12)10(13)7-4-2-1-3-6(7)8;/h2*1-5H,11H2;1H2
InChIKey
RVCSVNXPEGBQOI-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(N)c2c(C1=O)cccc2.O=C1C=C(N)c2c(C1=O)cccc2.O
Isomeric Smiles
O.NC1=CC(=O)C(=O)c2ccccc12.NC1=CC(=O)C(=O)c2ccccc12
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8139821
LogD (pH = 7.4)
0.8155513
Log P
0.81557137
Molar Refractivity
49.7148
Polarizability
18.05123
Polar Surface Area
60.16
Rotatable Bonds
0
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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