Molecule

ID:48189

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅Cl₂N₃
Molecular Mass
270.2423
Exact Mass
269.14255318
Charge
0
InChI
InChI=1S/C11H23N3.2ClH/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12-11;;/h11-12H,2-10H2,1H3;2*1H
InChIKey
MTPBZKRCWTWZMT-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CC1CCCCN1.Cl.Cl
Isomeric Smiles
N1(CC2NCCCC2)CCN(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.1194663
LogD (pH = 7.4)
-2.645397
Log P
0.58301884
Molar Refractivity
60.5748
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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