Molecule

ID:63536

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c12-7-11(8-14-9-11)13-6-10-4-2-1-3-5-10/h1-5,13H,6-9,12H2
InChIKey
KIIWSWUJHJELRW-UHFFFAOYSA-N
Canonic Smiles
NCC1(NCc2ccccc2)COC1
Isomeric Smiles
c1(ccccc1)CNC1(COC1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.7773986
LogD (pH = 7.4)
-1.3827784
Log P
0.49964616
Molar Refractivity
55.8901
Polarizability
22.560568
Polar Surface Area
47.28
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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