Molecule

ID:129969

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₆OP
Molecular Mass
294.292621
Exact Mass
294.13579589
Charge
0
InChI
InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)
InChIKey
BABJTMNVJXLAEX-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(nn1P(=O)(N(C)C)N(C)C)c1ccccc1
Isomeric Smiles
O=P(n1nc(nc1N)c1ccccc1)(N(C)C)N(C)C
Calculated Properties
JChem
Acid pKa
19.260323
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
1.1412011
LogD (pH = 7.4)
1.1417949
Log P
1.1418024
Molar Refractivity
92.1536
Polarizability
31.356676
Polar Surface Area
80.28
Rotatable Bonds
4
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
References
Bioactivity
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