Molecule

ID:79885

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁ClNO₃P
Molecular Mass
389.812401
Exact Mass
389.09475785
Charge
0
InChI
InChI=1S/C20H20NO3P.ClH/c21-20(16-17-10-4-1-5-11-17)25(22,23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19;/h1-15,20H,16,21H2;1H
InChIKey
QASSQNFAQQHNNH-UHFFFAOYSA-N
Canonic Smiles
NC(P(=O)(Oc1ccccc1)Oc1ccccc1)Cc1ccccc1.Cl
Isomeric Smiles
P(=O)(Oc1ccccc1)(Oc1ccccc1)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9116931
LogD (pH = 7.4)
3.62686
Log P
4.542381
Molar Refractivity
98.328
Polarizability
39.345913
Polar Surface Area
61.55
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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