Molecule

ID:19103

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c13-10-11(12-6-5-9-15-12)14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,13H2
InChIKey
LKCYAUMUKKLMBY-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccco1)N1CCCCCC1
Isomeric Smiles
N1(C(c2occc2)CN)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.667778
LogD (pH = 7.4)
-0.36631477
Log P
1.5326073
Molar Refractivity
61.3546
Polarizability
24.248287
Polar Surface Area
42.4
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
No Data Available
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Molecule Details
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References
Bioactivity
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