Molecule

ID:6994

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-11(2,3)13-10(14)8-6-4-5-7-9(8)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey
YHBZJCBYHUVKCM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1N)NC(C)(C)C
Isomeric Smiles
c1ccc(c(c1)C(=O)NC(C)(C)C)N
Calculated Properties
JChem
Acid pKa
15.61774
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9215181
LogD (pH = 7.4)
1.9225823
Log P
1.9225959
Molar Refractivity
58.5391
Polarizability
21.665194
Polar Surface Area
55.12
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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