Molecule

ID:18153

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄O
Molecular Mass
182.22296
Exact Mass
182.11676109
Charge
0
InChI
InChI=1S/C8H14N4O/c1-7-8(11-13-10-7)6-12-4-2-9-3-5-12/h9H,2-6H2,1H3
InChIKey
IADZORFSCHBHIT-UHFFFAOYSA-N
Canonic Smiles
Cc1nonc1CN1CCNCC1
Isomeric Smiles
C1NCCN(C1)Cc1c(non1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.9368181
LogD (pH = 7.4)
-2.623943
Log P
-0.81959844
Molar Refractivity
49.796
Polarizability
18.759209
Polar Surface Area
54.19
Rotatable Bonds
2
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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