Molecule

ID:82869

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-12(2)10(13)4-3-9-5-7-11-8-6-9/h5-8H,3-4H2,1-2H3
InChIKey
YESFJLBISUFNFW-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)CCc1ccncc1)C
Isomeric Smiles
N(C(=O)CCc1ccncc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.361734
LogD (pH = 7.4)
0.4765589
Log P
0.47829986
Molar Refractivity
51.4253
Polarizability
19.841002
Polar Surface Area
33.2
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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