Molecule
ID:82992
General Information
Molecular Formula
C₁₈H₁₇BrNP
Molecular Mass
358.212041
Exact Mass
357.02819818
Charge
0
InChI
InChI=1S/C18H16NP.BrH/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,19H;1H
InChIKey
GVTJMFRGMWXNOG-UHFFFAOYSA-N
Canonic Smiles
N=P(c1ccccc1)(c1ccccc1)c1ccccc1.Br
Isomeric Smiles
P(=N)(c1ccccc1)(c1ccccc1)c1ccccc1.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.747989
LogD (pH = 7.4)
4.4546676
Log P
4.9267
Molar Refractivity
84.1875
Polarizability
33.48671
Polar Surface Area
23.85
Rotatable Bonds
3
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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