Molecule

ID:80129

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅N₂OP
Molecular Mass
246.244761
Exact Mass
246.09219974
Charge
0
InChI
InChI=1S/C13H15N2OP/c1-15(14)17(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,14H2,1H3
InChIKey
MBYKDUGAFCUNQK-UHFFFAOYSA-N
Canonic Smiles
CN(P(=O)(c1ccccc1)c1ccccc1)N
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)N(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6714654
LogD (pH = 7.4)
2.6817658
Log P
2.6819
Molar Refractivity
71.0723
Polarizability
27.557648
Polar Surface Area
46.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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