Molecule

ID:34570

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-15-12-4-2-10(3-5-12)14-11-6-8-13-9-7-11/h2-5,11,13-14H,6-9H2,1H3
InChIKey
UFNFEMTWSJTTFW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC1CCNCC1
Isomeric Smiles
N1CCC(CC1)Nc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.345372
LogD (pH = 7.4)
-1.564201
Log P
0.93211085
Molar Refractivity
62.8714
Polarizability
23.996351
Polar Surface Area
33.29
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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