Molecule
ID:124189
General Information
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-14-11-5-4-9(8-10(11)12)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKey
LOFZWGMNZOSHOA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)N1CCCC1
Isomeric Smiles
N1(c2cc(c(cc2)OC)N)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.89426047
LogD (pH = 7.4)
1.4841347
Log P
1.50049
Molar Refractivity
59.1912
Polarizability
21.76199
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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