Molecule

ID:17902

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-6-5-7(2)9-4-3-8-6/h5,8H,3-4H2,1-2H3
InChIKey
HQOXLKBFOCPYAE-UHFFFAOYSA-N
Canonic Smiles
CC1=CC(=NCCN1)C
Isomeric Smiles
C1=C(NCCN=C1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1947906
LogD (pH = 7.4)
-2.6182086
Log P
0.20471184
Molar Refractivity
40.0562
Polarizability
14.517888
Polar Surface Area
24.39
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
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References
Bioactivity
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