Molecule

ID:83008

General Information
Structure
Molecular Formula
C₁₈H₁₈N₃OP
Molecular Mass
323.328781
Exact Mass
323.11874884
Charge
0
InChI
InChI=1S/C18H18N3OP/c19-13-4-1-7-16(10-13)23(22,17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H,19-21H2
InChIKey
BPKSEVADQCRIBR-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)P(=O)(c1cccc(c1)N)c1cccc(c1)N
Isomeric Smiles
P(=O)(c1cc(ccc1)N)(c1cccc(c1)N)c1cccc(c1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.3983185
LogD (pH = 7.4)
2.405508
Log P
2.4056
Molar Refractivity
97.167
Polarizability
36.33859
Polar Surface Area
95.13
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
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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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