Molecule

ID:77394

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆IN₅
Molecular Mass
333.17201
Exact Mass
333.04504354
Charge
0
InChI
InChI=1S/C10H15N5.HI/c11-10(12)15-7-5-14(6-8-15)9-3-1-2-4-13-9;/h1-4H,5-8H2,(H3,11,12);1H
InChIKey
HCOLFNZFEHSASI-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N1CCN(CC1)c1ccccn1.I
Isomeric Smiles
N1(c2ncccc2)CCN(CC1)C(=N)N.I
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.3006542
LogD (pH = 7.4)
-2.0011923
Log P
0.41777134
Molar Refractivity
70.6333
Polarizability
22.05019
Polar Surface Area
69.24
Rotatable Bonds
1
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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