Molecule

ID:42267

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-2-3-4-11-13-9-7-8(12)5-6-10(9)14-11/h5-7H,2-4,12H2,1H3
InChIKey
GNCQBYWFIUBHEZ-UHFFFAOYSA-N
Canonic Smiles
CCCCc1nc2c(o1)ccc(c2)N
Isomeric Smiles
n1c2c(oc1CCCC)ccc(c2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.202353
LogD (pH = 7.4)
2.2036607
Log P
2.2036774
Molar Refractivity
55.6931
Polarizability
22.25723
Polar Surface Area
52.05
Rotatable Bonds
3
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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