Molecule

ID:127096

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁P
Molecular Mass
138.146701
Exact Mass
138.05983698
Charge
0
InChI
InChI=1S/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
HASCQPSFPAKVEK-UHFFFAOYSA-N
Canonic Smiles
CP(c1ccccc1)C
Isomeric Smiles
P(c1ccccc1)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.38
LogD (pH = 5.5)
2.19
Log P
2.39
Rotatable Bonds
1
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
5.35
Polar Surface Area
0.00
Polarizability
14.98
Molar Refractivity
41.77
LOG S
-0.01
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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