Molecule

ID:62987

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉Cl₂N₃
Molecular Mass
264.19466
Exact Mass
263.09560298
Charge
0
InChI
InChI=1S/C11H17N3.2ClH/c1-8-7-9(2)14-11(13-8)10-5-3-4-6-12-10;;/h7,10,12H,3-6H2,1-2H3;2*1H
InChIKey
RROWPWPXMUHJJR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(n1)C1CCCCN1.Cl.Cl
Isomeric Smiles
c1(nc(cc(n1)C)C)C1NCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.50788784
LogD (pH = 7.4)
1.0941741
Log P
1.4086106
Molar Refractivity
56.5513
Polarizability
22.070702
Polar Surface Area
37.81
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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