Molecule

ID:21363

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄ClNO₃
Molecular Mass
337.84106
Exact Mass
337.14447131
Charge
0
InChI
InChI=1S/C18H24ClNO3/c1-22-18(21)16-10-14(11-20-16)23-17-8-7-13(19)9-15(17)12-5-3-2-4-6-12/h7-9,12,14,16,20H,2-6,10-11H2,1H3/t14?,16-/m0/s1
InChIKey
XGXYLMFBFOYIMB-WMCAAGNKSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1ccc(cc1C1CCCCC1)Cl
Isomeric Smiles
c1(c(OC2C[C@H](NC2)C(=O)OC)ccc(c1)Cl)C1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8832278
LogD (pH = 7.4)
3.8986714
Log P
3.9542406
Molar Refractivity
89.4076
Polarizability
35.728817
Polar Surface Area
47.56
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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