Molecule

ID:59489

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c1-2-3-5-10-6-4-9-8(10)7-11/h4,6-7H,2-3,5H2,1H3
InChIKey
GLQWYAMJYLFXEW-UHFFFAOYSA-N
Canonic Smiles
CCCCn1ccnc1C=O
Isomeric Smiles
c1(n(ccn1)CCCC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7597456
LogD (pH = 7.4)
1.7808143
Log P
1.7810909
Molar Refractivity
43.8311
Polarizability
16.335438
Polar Surface Area
34.89
Rotatable Bonds
4
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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