Molecule

ID:13372

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h2-3,8,10,12H,4-7,9H2,1H3
InChIKey
ZJRROMOOCRNAPK-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCc1ccco1
Isomeric Smiles
c1cc(oc1)CNC1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.790111
LogD (pH = 7.4)
-1.3475714
Log P
0.6186474
Molar Refractivity
57.148
Polarizability
22.404991
Polar Surface Area
28.41
Rotatable Bonds
3
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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