Molecule

ID:34574

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-14-11-4-2-3-9(7-11)13-10-5-6-12-8-10/h2-4,7,10,12-13H,5-6,8H2,1H3
InChIKey
RRDUJBANMNTWGQ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NC1CNCC1
Isomeric Smiles
N1CC(CC1)Nc1cccc(c1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.361714
LogD (pH = 7.4)
-1.9690342
Log P
0.87215114
Molar Refractivity
58.006
Polarizability
22.15313
Polar Surface Area
33.29
Rotatable Bonds
3
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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