Molecule

ID:19230

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O
Molecular Mass
144.21474
Exact Mass
144.12626314
Charge
0
InChI
InChI=1S/C7H16N2O/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3
InChIKey
PKTHUBCDDJVKKA-UHFFFAOYSA-N
Canonic Smiles
NCC(N1CCOCC1)C
Isomeric Smiles
N1(C(CN)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7389195
LogD (pH = 7.4)
-2.3881085
Log P
-0.40873978
Molar Refractivity
41.4312
Polarizability
16.638529
Polar Surface Area
38.49
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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