Molecule

ID:116948

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-17-13-4-2-3-11(9-13)14-10-16(8-7-15-14)12-5-6-12/h2-4,9,12,14-15H,5-8,10H2,1H3
InChIKey
TYWLJWKRNDCGIX-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C1NCCN(C1)C1CC1
Isomeric Smiles
N1(C2CC2)CC(NCC1)c1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1825558
LogD (pH = 7.4)
0.50694674
Log P
1.7463746
Molar Refractivity
68.7007
Polarizability
27.342258
Polar Surface Area
24.5
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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