Molecule

ID:63192

General Information
Structure
Molecular Formula
C₈H₁₆N₂
Molecular Mass
140.22604
Exact Mass
140.13134852
Charge
0
InChI
InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-
InChIKey
HJGMRAKQWLKWMH-RNLVFQAGSA-N
Canonic Smiles
N[C@@H]1C[C@@H]2CC[C@H](C1)N2C
Isomeric Smiles
[C@@H]12CC[C@@H](C[C@@H](N)C1)N2C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.2339015
LogD (pH = 7.4)
-4.3132205
Log P
-0.073321134
Molar Refractivity
42.2513
Polarizability
17.072641
Polar Surface Area
29.26
Rotatable Bonds
0
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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