Molecule

ID:110357

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₄
Molecular Mass
182.26602
Exact Mass
182.1531466
Charge
0
InChI
InChI=1S/C9H18N4/c1-4-10-8-3-6-12-9-2-5-11-7(1)13(8)9/h7-12H,1-6H2
InChIKey
ZNJURNUHQCGRLX-UHFFFAOYSA-N
Canonic Smiles
C1CC2NCCC3N2C(N1)CCN3
Isomeric Smiles
C1CC2NCCC3NCCC(N1)N23
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.1821845
LogD (pH = 7.4)
-0.74185485
Log P
0.37092796
Molar Refractivity
49.8225
Polarizability
21.229979
Polar Surface Area
39.33
Rotatable Bonds
0
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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