Molecule

ID:17480

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,6,9H2,1-2H3
InChIKey
AZJFCUDCKGDHOQ-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccco1)N(C)C
Isomeric Smiles
c1(C(N(C)C)CN)ccco1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1962264
LogD (pH = 7.4)
-1.1499069
Log P
0.2376725
Molar Refractivity
44.6116
Polarizability
17.606127
Polar Surface Area
42.4
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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