Molecule
ID:124266
General Information
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-15-12-6-5-10(9-11(12)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChIKey
RFTXPGFOKHADON-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)N1CCCCC1
Isomeric Smiles
N1(c2cc(c(cc2)OC)N)CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9985402
LogD (pH = 7.4)
1.9038877
Log P
1.9450586
Molar Refractivity
63.7922
Polarizability
23.60508
Polar Surface Area
38.49
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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