Molecule

ID:48741

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClN₃O
Molecular Mass
283.79698
Exact Mass
283.14514002
Charge
0
InChI
InChI=1S/C14H21N3O.ClH/c1-12(15)14(18)17-9-7-16(8-10-17)11-13-5-3-2-4-6-13;/h2-6,12H,7-11,15H2,1H3;1H
InChIKey
NCRDZTSZVODTHF-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N1CCN(CC1)Cc1ccccc1)N.Cl
Isomeric Smiles
N1(C(=O)C(N)C)CCN(Cc2ccccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.237046
LogD (pH = 7.4)
-0.47185192
Log P
0.6332909
Molar Refractivity
72.7756
Polarizability
28.596487
Polar Surface Area
49.57
Rotatable Bonds
3
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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