Molecule

ID:112480

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O
Molecular Mass
210.27106
Exact Mass
210.10446507
Charge
0
InChI
InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey
QGGZBXOADPVUPN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CCc1ccccc1
Isomeric Smiles
O=C(CCc1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.81
LogD (pH = 5.5)
3.81
Log P
3.81
Rotatable Bonds
4
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
16.80
Polar Surface Area
17.07
Polarizability
24.14
Molar Refractivity
65.78
LOG S
-3.59
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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