Molecule

ID:118400

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-15-8-7-14-6-2-3-10-4-5-11(13)9-12(10)14/h4-5,9H,2-3,6-8,13H2,1H3
InChIKey
JRQBWAUNCBSERA-UHFFFAOYSA-N
Canonic Smiles
COCCN1CCCc2c1cc(N)cc2
Isomeric Smiles
c12N(CCCc2ccc(c1)N)CCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5109036
LogD (pH = 7.4)
1.6870594
Log P
1.6898454
Molar Refractivity
64.1411
Polarizability
23.541914
Polar Surface Area
38.49
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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