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Chemical ID: 6384709
Chemical ID:
6384709
Name [?]:
2-[2-(4-chlorophenoxy)acetyl]amino-3-methyl-benzoic acid
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccc(cc2)Cl)C(=O)O
InChi [?]:
InChI=1/C16H14ClNO4/c1-10-3-2-4-13(16(20)21)15(10)18-14(19)9-22-12-7-5-11(17)6-8-12/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,15,17,14,18,11,2,16,13,6,9,7,20,19,8,10,21,22,12/E:(5,6)(7,8)(20,21)/rA:22nCCCCCCCNCOCOCCCCCCClCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s6;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40074 |
Area: | 514.804 |
Solvation: | -4.46937 |
Coulombic: | -56.2285 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.739 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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