Molecule

ID:114697

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O
Molecular Mass
194.2286
Exact Mass
194.07316494
Charge
0
InChI
InChI=1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H
InChIKey
LKMNQDOAPYPSNH-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
C(#C)c1ccc(Oc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6243682
LogD (pH = 7.4)
3.6243682
Log P
3.6243682
Molar Refractivity
57.4711
Polarizability
23.282284
Polar Surface Area
9.23
Rotatable Bonds
2
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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