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Chemical ID: 7691406
Chemical ID:
7691406
Name [?]:
None
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)C2C3CC(C2C(=O)O)C=C3
InChi [?]:
InChI=1/C16H16ClNO4/c1-22-12-5-4-10(7-11(12)17)18-15(19)13-8-2-3-9(6-8)14(13)16(20)21/h2-5,7-9,13-14H,6H2,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,21,5,4,15,7,14,16,6,8,3,13,17,11,18,9,10,12,19,20,2/E:(20,21)/rA:22cCOCCCCCCClNCOCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s13s16;s17;d18;s18;s16;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.69555 |
Area: | 481.406 |
Solvation: | -4.33959 |
Coulombic: | -53.5742 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.15 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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