Molecule

ID:101783

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-3-12(4-2)10-6-5-9(8-13)7-11-10/h5-8H,3-4H2,1-2H3
InChIKey
PCISUIMHLSRKGR-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cn1)C=O)CC
Isomeric Smiles
n1c(N(CC)CC)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7266254
LogD (pH = 7.4)
1.8817735
Log P
1.8841931
Molar Refractivity
54.7244
Polarizability
19.827349
Polar Surface Area
33.2
Rotatable Bonds
4
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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