Molecule

ID:135697

General Information
Structure
MolImage
Molecular Formula
C₃₅H₃₃NP₂
Molecular Mass
529.590742
Exact Mass
529.20882332
Charge
0
InChI
InChI=1S/C35H33NP2/c1-6-16-29(17-7-1)26-36-27-34(37(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(28-36)38(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35H,26-28H2/t34-,35-/m1/s1
InChIKey
GYKMEKRMASHMIH-VSJLXWSYSA-N
Canonic Smiles
c1ccc(cc1)CN1C[C@H]([C@@H](C1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)CN1C[C@H]([C@@H](C1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4445987
LogD (pH = 7.4)
4.709246
Log P
8.2619
Molar Refractivity
161.8907
Polarizability
64.31558
Polar Surface Area
3.24
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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