Molecule

ID:82083

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈O₄
Molecular Mass
310.34382
Exact Mass
310.12050906
Charge
0
InChI
InChI=1S/C19H18O4/c1-12-9-15(17(21)10-13(12)2)16(20)5-3-14-4-6-18-19(11-14)23-8-7-22-18/h3-6,9-11,21H,7-8H2,1-2H3
InChIKey
CJFLTJONXLEPQP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(C)c(cc1O)C)/C=C/c1ccc2c(c1)OCCO2
Isomeric Smiles
O1c2cc(ccc2OCC1)/C=C/C(=O)c1cc(c(cc1O)C)C
Calculated Properties
JChem
Acid pKa
8.636647
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.7764206
LogD (pH = 7.4)
4.7524214
Log P
4.7767353
Molar Refractivity
89.8977
Polarizability
33.76893
Polar Surface Area
55.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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