Molecule

ID:19233

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉N₃
Molecular Mass
157.25656
Exact Mass
157.15789762
Charge
0
InChI
InChI=1S/C8H19N3/c1-8(7-9)11-5-3-10(2)4-6-11/h8H,3-7,9H2,1-2H3
InChIKey
WQFHGCFNHAPPTM-UHFFFAOYSA-N
Canonic Smiles
NCC(N1CCN(CC1)C)C
Isomeric Smiles
N1(CCN(CC1)C)C(CN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.877842
LogD (pH = 7.4)
-3.128203
Log P
-0.34311974
Molar Refractivity
48.4068
Polarizability
19.332188
Polar Surface Area
32.5
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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