Molecule

ID:91271

General Information
Structure
MolImage
Molecular Formula
C₇H₁₉Cl₃N₂O
Molecular Mass
253.59756
Exact Mass
252.05629628
Charge
0
InChI
InChI=1S/C7H15ClN2.2ClH.H2O/c8-2-1-5-10-6-3-9-4-7-10;;;/h9H,1-7H2;2*1H;1H2
InChIKey
SZJBSCDUZKUYQE-UHFFFAOYSA-N
Canonic Smiles
ClCCCN1CCNCC1.O.Cl.Cl
Isomeric Smiles
N1(CCNCC1)CCCCl.O.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8465385
LogD (pH = 7.4)
-1.5024525
Log P
0.3786907
Molar Refractivity
44.9522
Polarizability
17.76351
Polar Surface Area
15.27
Rotatable Bonds
3
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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