Molecule

ID:79875

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃ClNO₃P
Molecular Mass
355.796181
Exact Mass
355.11040791
Charge
0
InChI
InChI=1S/C17H22NO3P.ClH/c1-14(2)13-17(18)22(19,20-15-9-5-3-6-10-15)21-16-11-7-4-8-12-16;/h3-12,14,17H,13,18H2,1-2H3;1H
InChIKey
CJYGVKCVQNBDTD-UHFFFAOYSA-N
Canonic Smiles
NC(P(=O)(Oc1ccccc1)Oc1ccccc1)CC(C)C.Cl
Isomeric Smiles
P(=O)(Oc1ccccc1)(C(CC(C)C)N)Oc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2965833
LogD (pH = 7.4)
2.9473076
Log P
4.1134033
Molar Refractivity
87.3826
Polarizability
35.271366
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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