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Chemical ID: 7715322
Chemical ID:
7715322
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2cc(c(cc2Cl)OCC)OCC
InChi [?]:
InChI=1/C19H22ClNO3/c1-4-13-7-9-14(10-8-13)19(22)21-16-12-18(24-6-3)17(23-5-2)11-15(16)20/h7-12H,4-6H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,24,2,20,23,4,8,5,7,16,13,3,6,17,12,15,14,9,18,11,10,19,22/E:(7,8)(9,10)/rA:24nCCCCCCCCCONCCCCCCClOCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s19;s20;s14;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0158 |
Area: | 573.862 |
Solvation: | -4.33073 |
Coulombic: | -37.5631 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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