Molecule

ID:83192

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKey
JYMFGHFNWSMPBP-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)NC(=O)C
Isomeric Smiles
N(c1ccc(cc1)OCCCC)C(=O)C
Calculated Properties
JChem
Acid pKa
14.978054
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.377184
LogD (pH = 7.4)
2.377184
Log P
2.377184
Molar Refractivity
61.2578
Polarizability
23.246536
Polar Surface Area
38.33
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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