Molecule

ID:41249

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c1-2-3-10-12-8-5-4-7(11)6-9(8)13-10/h4-6H,2-3,11H2,1H3
InChIKey
MGJVXCVORIBARV-UHFFFAOYSA-N
Canonic Smiles
CCCc1nc2c(o1)cc(cc2)N
Isomeric Smiles
n1c(oc2c1ccc(c2)N)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7585173
LogD (pH = 7.4)
1.7591013
Log P
1.7591087
Molar Refractivity
51.0921
Polarizability
20.411545
Polar Surface Area
52.05
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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