Molecule

ID:83553

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₂
Molecular Mass
267.32238
Exact Mass
267.12592879
Charge
0
InChI
InChI=1S/C17H17NO2/c1-18(2)14-10-7-13(8-11-14)9-12-17(20)15-5-3-4-6-16(15)19/h3-12,19H,1-2H3
InChIKey
NSBRMLGDDBWATL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1O)/C=C/c1ccc(cc1)N(C)C
Isomeric Smiles
N(c1ccc(cc1)/C=C/C(=O)c1ccccc1O)(C)C
Calculated Properties
JChem
Acid pKa
8.194611
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.2760243
LogD (pH = 7.4)
4.2797422
Log P
4.344804
Molar Refractivity
83.2865
Polarizability
30.771982
Polar Surface Area
40.54
Rotatable Bonds
4
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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