Molecule

ID:28445

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c13-11-4-6-14(7-5-11)9-10-2-1-3-12(15)8-10/h1-3,8,11,15H,4-7,9,13H2
InChIKey
WAURZPJBMDKXCF-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1cccc(c1)O
Isomeric Smiles
N1(Cc2cc(O)ccc2)CCC(CC1)N
Calculated Properties
JChem
Acid pKa
9.374194
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.05511
LogD (pH = 7.4)
-1.9874626
Log P
-0.09382336
Molar Refractivity
61.9634
Polarizability
24.314796
Polar Surface Area
49.49
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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