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Chemical ID: 5810453
Chemical ID:
5810453
Name [?]:
2-[2-(4-chlorophenoxy)acetyl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,19,16,20,13,18,15,5,4,11,7,21,10,12,8,9,14/E:(5,6)(7,8)(19,20)/rA:21nCCCCCCCOONCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17134 |
Area: | 501.394 |
Solvation: | -4.36351 |
Coulombic: | -56.6265 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.713 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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