Molecule

ID:125482

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-4-17-12-5-6-14-13(9-12)11(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKey
OSUDCFCSUHGWJF-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc2c(c1)c(CCN(C)C)c[nH]2
Isomeric Smiles
CCOc1cc2c(cc1)[nH]cc2CCN(C)C
Calculated Properties
JChem
Acid pKa
17.435776
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.89935714
LogD (pH = 7.4)
0.33478588
Log P
2.5012026
Molar Refractivity
71.654
Polarizability
28.7658
Polar Surface Area
28.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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