Molecule

ID:5953

General Information
Structure
Molecular Formula
C₁₉H₁₈O₃
Molecular Mass
294.34442
Exact Mass
294.12559444
Charge
0
InChI
InChI=1S/C19H18O3/c1-21-14-18(19(20)22-2)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3/b13-12+,18-14+
InChIKey
VEJCBCPEURAYAS-MEAXDALNSA-N
Canonic Smiles
CO/C=C(\c1ccccc1/C=C/c1ccccc1)/C(=O)OC
Isomeric Smiles
COC(=O)/C(=C/OC)/c1ccccc1/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.442518
LogD (pH = 7.4)
4.442518
Log P
4.442518
Molar Refractivity
88.6963
Polarizability
34.017315
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.42
LOG S
-5.5
Solubility (Water)
9.31e-04 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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