Molecule

ID:55598

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl₂N₃
Molecular Mass
252.18396
Exact Mass
251.09560298
Charge
0
InChI
InChI=1S/C10H17N3.2ClH/c1-4-11-7-9-5-6-12-10(13-9)8(2)3;;/h5-6,8,11H,4,7H2,1-3H3;2*1H
InChIKey
CDVFBCUQVWSFPX-UHFFFAOYSA-N
Canonic Smiles
CCNCc1ccnc(n1)C(C)C.Cl.Cl
Isomeric Smiles
c1(nc(ccn1)CNCC)C(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.91128224
LogD (pH = 7.4)
0.83715796
Log P
1.7732738
Molar Refractivity
54.0225
Polarizability
21.039099
Polar Surface Area
37.81
Rotatable Bonds
4
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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