Molecule
ID:83945
General Information
Molecular Formula
C₁₈H₂₆N₄O₂P₂
Molecular Mass
392.372162
Exact Mass
392.15309935
Charge
0
InChI
InChI=1S/C18H26N4O2P2/c1-15-9-7-11-17(13-15)21-25(23,19(3)4)22(26(21,24)20(5)6)18-12-8-10-16(2)14-18/h7-14H,1-6H3
InChIKey
RCSHPWPPXKMKIW-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)N1P(=O)(N(C)C)N(P1(=O)N(C)C)c1cccc(c1)C
Isomeric Smiles
P1(=O)(N(c2cc(ccc2)C)P(=O)(N1c1cccc(c1)C)N(C)C)N(C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.2331414
LogD (pH = 7.4)
2.233146
Log P
2.233146
Molar Refractivity
107.734
Polarizability
41.947395
Polar Surface Area
47.1
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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