Molecule

ID:17097

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c1-3-12(4-2)9(8-11)10-6-5-7-13-10/h5-7,9H,3-4,8,11H2,1-2H3
InChIKey
XIBTZZUXZNNSTP-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccco1)N(CC)CC
Isomeric Smiles
C(c1ccco1)(N(CC)CC)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.905921
LogD (pH = 7.4)
-0.6347031
Log P
0.9512884
Molar Refractivity
54.1088
Polarizability
21.293293
Polar Surface Area
42.4
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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