Molecule

ID:66270

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c14-9-10-3-1-2-4-11(10)13-7-5-12-6-8-13/h1-4,9,12H,5-8H2
InChIKey
NITSFGVLNGNYOS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1N1CCNCC1
Isomeric Smiles
C(=O)c1c(cccc1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6754898
LogD (pH = 7.4)
-0.08328049
Log P
1.2578636
Molar Refractivity
57.826
Polarizability
21.526413
Polar Surface Area
32.34
Rotatable Bonds
2
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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