Molecule

ID:18763

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c1-9-7-10-8-11(13)3-4-12(10)14(9)5-6-15-2/h3-4,7-8H,5-6,13H2,1-2H3
InChIKey
JRWGQKZCVBUDKZ-UHFFFAOYSA-N
Canonic Smiles
COCCn1c(C)cc2c1ccc(c2)N
Isomeric Smiles
n1(c(cc2c1ccc(c2)N)C)CCOC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6120747
LogD (pH = 7.4)
1.6192515
Log P
1.6193438
Molar Refractivity
62.9348
Polarizability
24.596561
Polar Surface Area
40.18
Rotatable Bonds
3
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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