Molecule

ID:125156

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N₃
Molecular Mass
155.24068
Exact Mass
155.14224756
Charge
0
InChI
InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3
InChIKey
LMDZBCPBFSXMTL-UHFFFAOYSA-N
Canonic Smiles
CCN=C=NCCCN(C)C
Isomeric Smiles
N(=C=NCCCN(C)C)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.7715313
LogD (pH = 7.4)
-1.5289264
Log P
0.62913024
Molar Refractivity
47.9251
Polarizability
18.138767
Polar Surface Area
27.96
Rotatable Bonds
5
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
References
Bioactivity
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