Molecule
ID:79689
General Information
Molecular Formula
C₂₈H₂₃N₂OP
Molecular Mass
434.468781
Exact Mass
434.1548
Charge
0
InChI
InChI=1S/C28H23N2OP/c1-30-27-20-12-11-19-25(27)26(21-28(30)31)29-32(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-21H,1H3
InChIKey
TXOMDTBWXFCGPO-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(n1C)cccc2
Isomeric Smiles
N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(=O)n(c2ccccc12)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4217954
LogD (pH = 7.4)
5.4831586
Log P
5.484
Molar Refractivity
132.0457
Polarizability
50.71596
Polar Surface Area
32.67
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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