Molecule
ID:83767
General Information
Molecular Formula
C₃₇H₂₆NOP
Molecular Mass
531.582201
Exact Mass
531.17520109
Charge
0
InChI
InChI=1S/C37H26NOP/c39-37-33-26-14-18-27-17-13-25-32(34(27)33)36(35(37)28-15-5-1-6-16-28)38-40(29-19-7-2-8-20-29,30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H
InChIKey
BAZXHTQUMOXTMM-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2c3c1cccc3ccc2)c1ccccc1
Isomeric Smiles
N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1=C(c2ccccc2)C(=O)c2c3c1cccc3ccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.543586
LogD (pH = 7.4)
8.609591
Log P
8.6105
Molar Refractivity
165.3719
Polarizability
65.06549
Polar Surface Area
29.43
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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