Molecule

ID:120815

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-14-8-7-13-6-5-9-10(12)3-2-4-11(9)13/h2-6H,7-8,12H2,1H3
InChIKey
QTWCDCABFPLRHP-UHFFFAOYSA-N
Canonic Smiles
COCCn1ccc2c1cccc2N
Isomeric Smiles
c12ccn(c1cccc2N)CCOC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4160906
LogD (pH = 7.4)
1.4197358
Log P
1.4197824
Molar Refractivity
57.7851
Polarizability
22.834492
Polar Surface Area
40.18
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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