Molecule

ID:80907

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₄P+
Molecular Mass
309.325381
Exact Mass
309.12690823
Charge
1
InChI
InChI=1S/C17H18N4P/c18-8-1-11-22(12-2-9-19,13-3-10-20)15-17-6-4-16(14-21)5-7-17/h4-7H,1-3,11-13,15H2/q+1
InChIKey
IINUKIOYHBDWTR-UHFFFAOYSA-N
Canonic Smiles
N#CCC[P+](Cc1ccc(cc1)C#N)(CCC#N)CCC#N
Isomeric Smiles
N#CCC[P+](Cc1ccc(cc1)C#N)(CCC#N)CCC#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1759875
LogD (pH = 7.4)
1.1759875
Log P
1.1759875
Molar Refractivity
87.2173
Polarizability
33.178333
Polar Surface Area
95.16
Rotatable Bonds
8
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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