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Chemical ID: 7532012
Chemical ID:
7532012
Name [?]:
4-(3,5-dichloro-4-methoxy-benzoyl)aminobenzoic acid
SMILES [?]:
COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)C(=O)O)Cl
InChi [?]:
InChI=1/C15H11Cl2NO4/c1-22-13-11(16)6-9(7-12(13)17)14(19)18-10-4-2-8(3-5-10)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,5,7,16,6,13,4,8,3,10,19,22,9,12,11,20,21,2/E:(2,3)(4,5)(6,7)(11,12)(16,17)(20,21)/rA:22nCOCCCCCCClCONCCCCCCCOOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2NO4 |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.19676 |
Area: | 527.528 |
Solvation: | -3.99144 |
Coulombic: | -56.7563 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.77 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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