Molecule

ID:58608

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-7(2,3)6-8-4-5-9-6/h4-5H2,1-3H3,(H,8,9)
InChIKey
BYDVQPRXDZABPW-UHFFFAOYSA-N
Canonic Smiles
CC(C1=NCCN1)(C)C
Isomeric Smiles
C1(=NCCN1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2461749
LogD (pH = 7.4)
-1.2124779
Log P
1.1688368
Molar Refractivity
38.0498
Polarizability
14.756851
Polar Surface Area
24.39
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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