Molecule

ID:13332

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H21ClN2O/c15-14-5-2-1-4-13(14)12-16-6-3-7-17-8-10-18-11-9-17/h1-2,4-5,16H,3,6-12H2
InChIKey
OVLMQCGLZDACDD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CNCCCN1CCOCC1
Isomeric Smiles
c1ccc(c(c1)CNCCCN1CCOCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7988098
LogD (pH = 7.4)
0.27488723
Log P
1.9957432
Molar Refractivity
76.0698
Polarizability
29.937984
Polar Surface Area
24.5
Rotatable Bonds
6
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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