Molecule

ID:34238

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-10(2)7-15-8-11-9-16-14-5-4-12(17-3)6-13(11)14/h4-6,9-10,15-16H,7-8H2,1-3H3
InChIKey
OQFQCYUVJYOFLS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CNCC(C)C)c[nH]2
Isomeric Smiles
c1(c2c([nH]c1)ccc(c2)OC)CNCC(C)C
Calculated Properties
JChem
Acid pKa
16.304533
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5110275
LogD (pH = 7.4)
0.03121302
Log P
2.7169886
Molar Refractivity
70.5999
Polarizability
28.84554
Polar Surface Area
37.05
Rotatable Bonds
5
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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