Molecule
ID:121983
General Information
Molecular Formula
C₁₈H₁₅NO₃
Molecular Mass
293.3166
Exact Mass
293.10519335
Charge
0
InChI
InChI=1S/C18H15NO3/c1-19(2)13-9-7-12(8-10-13)11-16-14-5-3-4-6-15(14)17(20)22-18(16)21/h3-11H,1-2H3/b16-11+
InChIKey
UAISOHSJGIBKRC-LFIBNONCSA-N
Canonic Smiles
O=C1OC(=O)c2c(/C/1=C\c1ccc(cc1)N(C)C)cccc2
Isomeric Smiles
C\1(=C\c2ccc(N(C)C)cc2)/C(=O)OC(=O)c2c1cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8862333
LogD (pH = 7.4)
3.9366243
Log P
3.9373062
Molar Refractivity
85.9914
Polarizability
32.082516
Polar Surface Area
46.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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