Molecule

ID:65997

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₃
Molecular Mass
307.34318
Exact Mass
307.12084341
Charge
0
InChI
InChI=1S/C19H17NO3/c1-14-7-9-15(10-8-14)11-12-18(21)20-17(13-23-19(20)22)16-5-3-2-4-6-16/h2-12,17H,13H2,1H3/b12-11+/t17-/m1/s1
InChIKey
IPXSZYICVIVCPJ-FMQWLBJXSA-N
Canonic Smiles
Cc1ccc(cc1)/C=C/C(=O)N1C(=O)OC[C@@H]1c1ccccc1
Isomeric Smiles
N1(C(=O)OC[C@@H]1c1ccccc1)C(=O)/C=C/c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2868557
LogD (pH = 7.4)
4.2868557
Log P
4.2868557
Molar Refractivity
88.3233
Polarizability
33.80695
Polar Surface Area
46.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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