Molecule

ID:123770

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-9(2)6-7-14-12(15)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15)
InChIKey
GVLBLVWVHCBNSB-UHFFFAOYSA-N
Canonic Smiles
CC(CCNC(=O)c1cccc(c1)N)C
Isomeric Smiles
C(=O)(c1cc(N)ccc1)NCCC(C)C
Calculated Properties
JChem
Acid pKa
15.149811
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8265381
LogD (pH = 7.4)
1.8295162
Log P
1.8295543
Molar Refractivity
63.1557
Polarizability
23.506905
Polar Surface Area
55.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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