Molecule

ID:13341

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H21ClN2O/c15-14-4-1-3-13(11-14)12-16-5-2-6-17-7-9-18-10-8-17/h1,3-4,11,16H,2,5-10,12H2
InChIKey
MERFUFHSNCLISH-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)CNCCCN1CCOCC1
Isomeric Smiles
c1cc(cc(c1)CNCCCN1CCOCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8882165
LogD (pH = 7.4)
-0.272808
Log P
1.9957432
Molar Refractivity
76.0698
Polarizability
29.934004
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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