Molecule

ID:61181

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-16(2)13-12-15(17)11-7-6-10-14-8-4-3-5-9-14/h3-13H,1-2H3/b10-6+,11-7+,13-12+
InChIKey
UBLXAPPOEZMQTH-ZSBSVGGCSA-N
Canonic Smiles
O=C(/C=C/N(C)C)/C=C/C=C/c1ccccc1
Isomeric Smiles
C(=C\N(C)C)/C(=O)/C=C/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3190594
LogD (pH = 7.4)
3.28841
Log P
3.3372555
Molar Refractivity
75.2818
Polarizability
27.507093
Polar Surface Area
20.31
Rotatable Bonds
5
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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