Molecule

ID:28407

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃N₂OP
Molecular Mass
232.218181
Exact Mass
232.07654968
Charge
0
InChI
InChI=1S/C12H13N2OP/c13-14-16(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13H2,(H,14,15)
InChIKey
NRACHDIQCDJEIP-UHFFFAOYSA-N
Canonic Smiles
NNP(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(NN)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.728632
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.431349
LogD (pH = 7.4)
2.4353485
Log P
2.4354
Molar Refractivity
66.1756
Polarizability
25.714355
Polar Surface Area
55.12
Rotatable Bonds
3
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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