Molecule

ID:44336

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O₃
Molecular Mass
300.78114
Exact Mass
300.12407022
Charge
0
InChI
InChI=1S/C14H20N2O3.ClH/c1-18-14(17)12-2-4-13(5-3-12)19-11-10-16-8-6-15-7-9-16;/h2-5,15H,6-11H2,1H3;1H
InChIKey
NUKOHVASHFTFPO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCCN1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCN1CCNCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8507618
LogD (pH = 7.4)
-0.5263658
Log P
1.3017677
Molar Refractivity
73.321
Polarizability
28.797543
Polar Surface Area
50.8
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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