Molecule

ID:48924

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O
Molecular Mass
266.76646
Exact Mass
266.11859092
Charge
0
InChI
InChI=1S/C14H18N2O.ClH/c17-14(13-6-3-8-15-13)16-9-7-11-4-1-2-5-12(11)10-16;/h1-2,4-5,13,15H,3,6-10H2;1H
InChIKey
VUVWLUUUVOMBAO-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCc2c(C1)cccc2)C1CCCN1.Cl
Isomeric Smiles
N1(C(=O)C2NCCC2)Cc2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8993036
LogD (pH = 7.4)
-1.0502276
Log P
1.3076297
Molar Refractivity
67.6021
Polarizability
26.335342
Polar Surface Area
32.34
Rotatable Bonds
1
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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