Molecule

ID:79730

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇ClNP
Molecular Mass
313.761041
Exact Mass
313.07871386
Charge
0
InChI
InChI=1S/C18H17NP.ClH/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,19H2;1H/q+1;/p-1
InChIKey
OFBPNJGUSZQYTH-UHFFFAOYSA-M
Canonic Smiles
N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)N.[Cl-]
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9000833
LogD (pH = 7.4)
3.9000833
Log P
3.9000833
Molar Refractivity
86.907
Polarizability
34.143196
Polar Surface Area
26.02
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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