Molecule

ID:31064

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3
InChIKey
NQOHGGYEBXCWJV-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)N1CCOCC1)N
Isomeric Smiles
N1(c2ccc(cc2)C(N)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6074001
LogD (pH = 7.4)
-0.9427282
Log P
1.4051327
Molar Refractivity
62.4533
Polarizability
24.008228
Polar Surface Area
38.49
Rotatable Bonds
2
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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