Molecule

ID:80307

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃N₂O₂P
Molecular Mass
272.238981
Exact Mass
272.0714643
Charge
0
InChI
InChI=1S/C14H13N2O2P/c1-16-13-10-6-5-9-12(13)15-14(16)19(17,18)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,18)
InChIKey
BWJZHTJXOGNWEY-UHFFFAOYSA-N
Canonic Smiles
Cn1c2ccccc2nc1P(=O)(c1ccccc1)O
Isomeric Smiles
n1c(P(=O)(c2ccccc2)O)n(c2ccccc12)C
Calculated Properties
JChem
Acid pKa
2.8300197
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.79333586
LogD (pH = 7.4)
0.70977885
Log P
2.4307005
Molar Refractivity
73.4366
Polarizability
29.672747
Polar Surface Area
55.12
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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