Molecule

ID:15804

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₂O
Molecular Mass
307.25916
Exact Mass
306.12656876
Charge
0
InChI
InChI=1S/C14H22N2O.2ClH/c15-8-11-17-14-7-3-2-6-13(14)12-16-9-4-1-5-10-16;;/h2-3,6-7H,1,4-5,8-12,15H2;2*1H
InChIKey
UTPJOLPDLRLIIV-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccccc1CN1CCCCC1.Cl.Cl
Isomeric Smiles
C(c1c(cccc1)OCCN)N1CCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.0903087
LogD (pH = 7.4)
-1.2490776
Log P
1.8103536
Molar Refractivity
71.1557
Polarizability
28.079876
Polar Surface Area
38.49
Rotatable Bonds
5
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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