Molecule

ID:86279

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClN₃
Molecular Mass
267.79758
Exact Mass
267.1502254
Charge
0
InChI
InChI=1S/C14H22ClN3/c15-13-4-3-5-14(12-13)18-10-8-17(9-11-18)7-2-1-6-16/h3-5,12H,1-2,6-11,16H2
InChIKey
KEYKSGMTHPRQBZ-UHFFFAOYSA-N
Canonic Smiles
NCCCCN1CCN(CC1)c1cccc(c1)Cl
Isomeric Smiles
N1(c2cccc(c2)Cl)CCN(CC1)CCCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.594462
LogD (pH = 7.4)
-1.4242966
Log P
2.3127925
Molar Refractivity
78.8013
Polarizability
30.38884
Polar Surface Area
32.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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