Molecule

ID:62100

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O
Molecular Mass
266.76646
Exact Mass
266.11859092
Charge
0
InChI
InChI=1S/C14H19ClN2O/c1-11(18)17-7-2-3-12(6-8-17)9-13-4-5-14(15)16-10-13/h4-5,10,12H,2-3,6-9H2,1H3
InChIKey
VKSQMHRSCDXEJX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)CC1CCCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCC(Cc2cnc(Cl)cc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1838984
LogD (pH = 7.4)
2.1839392
Log P
2.1839397
Molar Refractivity
73.9561
Polarizability
28.33659
Polar Surface Area
33.2
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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