Molecule

ID:101102

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-12-4-5-13-10-6-8(7-11)2-3-9(10)12/h2-3,6H,4-5,7,11H2,1H3
InChIKey
PGIOCCIKSFJJMR-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)OCCN2C
Isomeric Smiles
c12c(OCCN1C)cc(cc2)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1144943
LogD (pH = 7.4)
-1.2124208
Log P
0.8778619
Molar Refractivity
53.4542
Polarizability
20.304472
Polar Surface Area
38.49
Rotatable Bonds
1
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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