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Chemical ID: 6527262
Chemical ID:
6527262
Name [?]:
3-[(3,4-dichlorophenyl)carbamoylamino]-4-methoxy-benzoic acid
SMILES [?]:
COc1ccc(cc1NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C15H12Cl2N2O4/c1-23-13-5-2-8(14(20)21)6-12(13)19-15(22)18-9-3-4-10(16)11(17)7-9/h2-7H,1H3,(H,20,21)(H2,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,5,14,15,4,7,18,6,13,16,17,8,3,21,10,20,19,12,9,22,23,11,2/E:(20,21)/rA:23nCOCCCCCCNCONCCCCCCClClCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s6;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl2N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76233 |
Area: | 542.48 |
Solvation: | -3.79966 |
Coulombic: | -69.6264 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.172 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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