Molecule

ID:40881

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O
Molecular Mass
162.1885
Exact Mass
162.07931295
Charge
0
InChI
InChI=1S/C9H10N2O/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2,10H2,1H3
InChIKey
CRWOCBCQPVKWLI-UHFFFAOYSA-N
Canonic Smiles
CCc1nc2c(o1)ccc(c2)N
Isomeric Smiles
n1c2c(oc1CC)ccc(c2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.313341
LogD (pH = 7.4)
1.3145249
Log P
1.31454
Molar Refractivity
46.4911
Polarizability
18.56658
Polar Surface Area
52.05
Rotatable Bonds
1
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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