Molecule

ID:24308

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c11-10(13)6-7-12-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H2,11,13)
InChIKey
GGJZFUWYCGSBCO-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCNCc1ccccc1
Isomeric Smiles
C(=O)(CCNCc1ccccc1)N
Calculated Properties
JChem
Acid pKa
16.659088
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.6382654
LogD (pH = 7.4)
-1.2372798
Log P
0.43964806
Molar Refractivity
51.9122
Polarizability
20.428408
Polar Surface Area
55.12
Rotatable Bonds
5
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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