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Chemical ID: 7700187
Chemical ID:
7700187
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)OC)O
InChi [?]:
InChI=1/C16H15NO4/c1-10-3-5-11(6-4-10)15(19)17-12-7-8-14(18)13(9-12)16(20)21-2/h3-9,18H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,4,6,12,13,16,2,5,11,15,14,8,17,10,21,9,18,19/E:(3,4)(5,6)/rA:21nCCCCCCCCONCCCCCCCOOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO4 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.3937 |
Area: | 486.086 |
Solvation: | -3.75846 |
Coulombic: | -56.9924 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.52 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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