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Chemical ID: 7700586
Chemical ID:
7700586
Name [?]:
None
SMILES [?]:
CCCC(=O)Nc1cc(ccc1Cl)C(=O)OCC
InChi [?]:
InChI=1/C13H16ClNO3/c1-3-5-12(16)15-11-8-9(6-7-10(11)14)13(17)18-4-2/h6-8H,3-5H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,3,10,11,8,9,12,7,4,14,13,6,5,15,16/rA:18nCCCCONCCCCCCClCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s9;d14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16ClNO3 |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.53599 |
Area: | 479.682 |
Solvation: | -2.45605 |
Coulombic: | -40.5961 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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