Molecule

ID:5262

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2
InChIKey
LENAVORGWBTPJR-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(o1)c1cccnc1
Isomeric Smiles
c1ccncc1c1ccc(o1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9448566
LogD (pH = 7.4)
-0.2371366
Log P
0.50881493
Molar Refractivity
49.7791
Polarizability
20.644367
Polar Surface Area
52.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.04
LOG S
-2.0
Solubility (Water)
1.76e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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