Molecule

ID:62837

General Information
Structure
Molecular Formula
C₁₀H₁₉Cl₂N₃
Molecular Mass
252.18396
Exact Mass
251.09560298
Charge
0
InChI
InChI=1S/C10H17N3.2ClH/c1-13-7-6-12-10(13)8-9-2-4-11-5-3-9;;/h6-7,9,11H,2-5,8H2,1H3;2*1H
InChIKey
DGECTWCYUNHMSB-UHFFFAOYSA-N
Canonic Smiles
Cn1ccnc1CC1CCNCC1.Cl.Cl
Isomeric Smiles
c1(n(ccn1)C)CC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7276168
LogD (pH = 7.4)
-2.4693642
Log P
0.49369597
Molar Refractivity
53.3569
Polarizability
20.672152
Polar Surface Area
29.85
Rotatable Bonds
2
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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