Molecule

ID:47934

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅Cl₂N₃
Molecular Mass
270.2423
Exact Mass
269.14255318
Charge
0
InChI
InChI=1S/C11H23N3.2ClH/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11;;/h11-12H,2-10H2,1H3;2*1H
InChIKey
ZVCNCTRYFUCTJX-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CC1CCCNC1.Cl.Cl
Isomeric Smiles
N1(CC2CNCCC2)CCN(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.6291366
LogD (pH = 7.4)
-3.4470506
Log P
0.18320471
Molar Refractivity
60.9138
Polarizability
24.131968
Polar Surface Area
18.51
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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