Molecule

ID:77444

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-12-8-9-3-4-10-11(7-9)14-6-5-13(10)2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKey
CWSXODDBZQHSTB-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc2c(c1)OCCN2C
Isomeric Smiles
O1CCN(c2c1cc(cc2)CNC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8800875
LogD (pH = 7.4)
-0.8922762
Log P
1.3104423
Molar Refractivity
58.2288
Polarizability
22.14835
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
No Data Available
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Molecule Details
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References
Bioactivity
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