Molecule
ID:124471
General Information
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c12-9-3-1-2-8(6-9)7-11(14)13-10-4-5-10/h1-3,6,10H,4-5,7,12H2,(H,13,14)
InChIKey
DMZDYILYWMVUFP-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1cccc(c1)N)NC1CC1
Isomeric Smiles
C(=O)(NC1CC1)Cc1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
15.871001
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.6388079
LogD (pH = 7.4)
0.6640347
Log P
0.6643661
Molar Refractivity
55.9961
Polarizability
21.15154
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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