Molecule

ID:16141

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c1-2-6-14-13(5-1)11(9-16-14)8-15-10-12-4-3-7-17-12/h1-2,5-6,9,12,15-16H,3-4,7-8,10H2
InChIKey
GUAGFSDMDPMFPI-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1c[nH]c2c1cccc2
Isomeric Smiles
c1(c[nH]c2c1cccc2)CNCC1OCCC1
Calculated Properties
JChem
Acid pKa
15.975929
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1185377
LogD (pH = 7.4)
0.0041717794
Log P
2.0489457
Molar Refractivity
68.6472
Polarizability
28.120092
Polar Surface Area
37.05
Rotatable Bonds
4
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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