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Chemical ID: 7509753
Chemical ID:
7509753
Name [?]:
2-[4-(3-methyl-4-nitro-benzoyl)aminophenoxy]acetic acid
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)OCC(=O)O
InChi [?]:
InChI=1/C16H14N2O6/c1-10-8-11(2-7-14(10)18(22)23)16(21)17-12-3-5-13(6-4-12)24-9-15(19)20/h2-8H,9H2,1H3,(H,17,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,15,19,16,18,6,3,21,2,4,14,17,7,22,11,13,8,23,24,12,9,10,20/E:(3,4)(5,6)(19,20)(22,23)/CRV:18.5/rA:24nCCCCCCCN+OO-CONCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O6 |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 3.45055 |
Area: | 541.159 |
Solvation: | -10.0784 |
Coulombic: | -66.5021 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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