Molecule

ID:129439

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₅NO₄
Molecular Mass
381.3802
Exact Mass
381.10010797
Charge
0
InChI
InChI=1S/C24H15NO4/c25-14-6-10-19-21(12-14)28-22-16-8-7-15(26)11-13(16)5-9-20(22)24(19)18-4-2-1-3-17(18)23(27)29-24/h1-12,26H,25H2
InChIKey
DYPYMMHZGRPOCK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc2c1ccc(c2)O
Isomeric Smiles
O=C1OC2(c3c1cccc3)c1ccc(N)cc1Oc1c2ccc2c1ccc(O)c2
Calculated Properties
JChem
Acid pKa
9.74665
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.3407326
LogD (pH = 7.4)
4.3424735
Log P
4.344459
Molar Refractivity
110.3898
Polarizability
42.446526
Polar Surface Area
81.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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