Molecule

ID:75021

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅OP
Molecular Mass
230.242061
Exact Mass
230.08605173
Charge
0
InChI
InChI=1S/C14H15OP/c1-2-15-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
JCRCPEDXAHDCAJ-UHFFFAOYSA-N
Canonic Smiles
CCOP(c1ccccc1)c1ccccc1
Isomeric Smiles
P(c1ccccc1)(c1ccccc1)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0386
LogD (pH = 7.4)
4.0386
Log P
4.0386
Molar Refractivity
67.9441
Polarizability
27.027954
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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