Molecule

ID:113926

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-2-15-12(14-1)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,15)
InChIKey
ULJRIIBCZFQSPF-UHFFFAOYSA-N
Canonic Smiles
C1CN=C(N1)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(C3=NCCN3)CC3CC(C1)CC(C2)C3
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.442287
LogD (pH = 7.4)
-0.38723084
Log P
1.9724224
Molar Refractivity
60.092
Polarizability
23.621983
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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