Molecule

ID:45477

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c12-9-5-2-6-10(7-9)13-11(14)8-3-1-4-8/h2,5-8H,1,3-4,12H2,(H,13,14)
InChIKey
FEWPZRRWPBKTBO-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C1CCC1
Calculated Properties
JChem
Acid pKa
13.966273
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5927846
LogD (pH = 7.4)
1.606221
Log P
1.6063951
Molar Refractivity
57.6216
Polarizability
21.141983
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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