Molecule

ID:76987

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c13-10-4-3-8-5-6-14(11(8)7-10)12(15)9-1-2-9/h3-4,7,9H,1-2,5-6,13H2
InChIKey
BDWQDPSPRYTBJI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)N(CC2)C(=O)C1CC1
Isomeric Smiles
N1(c2c(ccc(c2)N)CC1)C(=O)C1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0556204
LogD (pH = 7.4)
1.0656517
Log P
1.065781
Molar Refractivity
59.4461
Polarizability
22.251335
Polar Surface Area
46.33
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
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Molecule Details
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References
Bioactivity
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