Molecule

ID:101759

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅IN₄
Molecular Mass
270.11457
Exact Mass
270.0341445
Charge
0
InChI
InChI=1S/C6H14N4.HI/c1-9-2-4-10(5-3-9)6(7)8;/h2-5H2,1H3,(H3,7,8);1H
InChIKey
KESCAEZAONDSRV-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=N)N.I
Isomeric Smiles
C(=N)(N1CCN(CC1)C)N.I
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.4385734
LogD (pH = 7.4)
-3.3349705
Log P
-0.85013396
Molar Refractivity
51.9782
Polarizability
15.581526
Polar Surface Area
56.35
Rotatable Bonds
0
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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