Molecule

ID:67311

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m1/s1
InChIKey
KSCPLKVBWDOSAI-RQJHMYQMSA-N
Canonic Smiles
C1CN[C@@H]2[C@H](C1)CNC2
Isomeric Smiles
[C@H]12[C@H](CCCN1)CNC2
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.898884
LogD (pH = 7.4)
-3.1977408
Log P
-0.15872069
Molar Refractivity
37.2702
Polarizability
15.227027
Polar Surface Area
24.06
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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