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Chemical ID: 7700138
Chemical ID:
7700138
Name [?]:
None
SMILES [?]:
COC(=O)c1ccc(c(c1)NC(=O)C2CCCC2)Cl
InChi [?]:
InChI=1/C14H16ClNO3/c1-19-14(18)10-6-7-11(15)12(8-10)16-13(17)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,6,7,10,14,5,8,9,12,3,19,11,13,4,2/E:(2,3)(4,5)/rA:19nCOCOCCCCCCNCOCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;s16;s14s17;s8;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16ClNO3 |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.33986 |
Area: | 471.67 |
Solvation: | -2.45189 |
Coulombic: | -40.9301 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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