Molecule

ID:87434

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)10-7-5-9(11-13)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey
OLNMJIHADFYHAK-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)N=O)CC
Isomeric Smiles
N(=O)c1ccc(cc1)N(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8673892
LogD (pH = 7.4)
2.8725474
Log P
2.8726137
Molar Refractivity
55.5572
Polarizability
19.832724
Polar Surface Area
32.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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