Molecule

ID:85017

General Information
Structure
Molecular Formula
C₁₄H₁₉NO
Molecular Mass
217.30676
Exact Mass
217.14666423
Charge
0
InChI
InChI=1S/C14H19NO/c1-10(2)14(11(3)16)12-6-8-13(9-7-12)15(4)5/h6-9H,1-5H3
InChIKey
NPGZIROOKUDTFX-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)C(=C(C)C)C(=O)C)C
Isomeric Smiles
N(c1ccc(cc1)C(=C(C)C)C(=O)C)(C)C
Calculated Properties
JChem
Acid pKa
19.671917
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2450259
LogD (pH = 7.4)
3.2683945
Log P
3.2687008
Molar Refractivity
69.6787
Polarizability
26.124125
Polar Surface Area
20.31
Rotatable Bonds
3
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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