Molecule

ID:44786

General Information
Structure
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-10-9-14(8-7-13-10)11-5-3-4-6-12(11)15-2/h3-6,10,13H,7-9H2,1-2H3
InChIKey
FYSAJDLQUVCBSB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CCNC(C1)C
Isomeric Smiles
N1(c2c(OC)cccc2)CC(NCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2207909
LogD (pH = 7.4)
0.26996723
Log P
1.804265
Molar Refractivity
62.124
Polarizability
23.99769
Polar Surface Area
24.5
Rotatable Bonds
2
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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