Molecule

ID:13568

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c1-12(2)7-4-6-11-9-10-5-3-8-13-10/h3,5,8,11H,4,6-7,9H2,1-2H3
InChIKey
KOVNXYDPPORAOF-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNCc1ccco1)C
Isomeric Smiles
c1cc(oc1)CNCCCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.931071
LogD (pH = 7.4)
-1.7071388
Log P
0.67044556
Molar Refractivity
54.5814
Polarizability
21.293835
Polar Surface Area
28.41
Rotatable Bonds
6
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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