Molecule

ID:42990

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChIKey
VIPMBJSGYWWHAO-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(=O)(c1ccc(C(C)(C)C)cc1)N
Calculated Properties
JChem
Acid pKa
14.717382
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3689418
LogD (pH = 7.4)
2.3689425
Log P
2.3689425
Molar Refractivity
53.8023
Polarizability
20.448095
Polar Surface Area
43.09
Rotatable Bonds
2
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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