Molecule

ID:13558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c1-9-4-5-10(13-9)8-11-6-7-12(2)3/h4-5,11H,6-8H2,1-3H3
InChIKey
KMMNJQOFNFWIQZ-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCc1ccc(o1)C)C
Isomeric Smiles
c1cc(oc1C)CNCCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.273732
LogD (pH = 7.4)
-0.5792535
Log P
0.81004715
Molar Refractivity
54.8657
Polarizability
21.216629
Polar Surface Area
28.41
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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