Molecule

ID:34041

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H18N2O.ClH/c1-10-4-6-11(7-5-10)13(16)15-8-2-3-12(14)9-15;/h4-7,12H,2-3,8-9,14H2,1H3;1H
InChIKey
OUNIWHPSFFAHHP-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)C(=O)c1ccc(cc1)C.Cl
Isomeric Smiles
N1(C(=O)c2ccc(cc2)C)CC(N)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5261645
LogD (pH = 7.4)
-0.52456474
Log P
1.4532404
Molar Refractivity
65.132
Polarizability
24.930285
Polar Surface Area
46.33
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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