Molecule

ID:78640

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₄
Molecular Mass
309.316
Exact Mass
309.10010797
Charge
0
InChI
InChI=1S/C18H15NO4/c20-12-13-6-8-14(9-7-13)23-11-3-10-19-17(21)15-4-1-2-5-16(15)18(19)22/h1-2,4-9,12H,3,10-11H2
InChIKey
WACIDFSJZAPASS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(cccc2)C1=O)CCCOc1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3336108
LogD (pH = 7.4)
2.3336108
Log P
2.3336108
Molar Refractivity
86.2131
Polarizability
31.833618
Polar Surface Area
63.68
Rotatable Bonds
6
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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