Molecule

ID:82105

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄NP
Molecular Mass
333.406421
Exact Mass
333.1646364
Charge
0
InChI
InChI=1S/C22H24NP/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKey
PAVNXBJENBMNKP-UHFFFAOYSA-N
Canonic Smiles
CC(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C)C
Isomeric Smiles
P(=NC(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.6312165
LogD (pH = 7.4)
5.9995403
Log P
6.007
Molar Refractivity
103.8252
Polarizability
40.87397
Polar Surface Area
12.36
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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