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Chemical ID: 4314681
Chemical ID:
4314681
Name [?]:
2-(3,4-dichlorobenzoyl)amino-5-hydroxy-benzoic acid
SMILES [?]:
c1cc(c(cc1C(=O)Nc2ccc(cc2C(=O)O)O)Cl)Cl
InChi [?]:
InChI=1/C14H9Cl2NO4/c15-10-3-1-7(5-11(10)16)13(19)17-12-4-2-8(18)6-9(12)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,5,14,6,13,15,3,4,10,7,16,21,20,9,19,8,17,18/E:(20,21)/rA:21nCCCCCCCONCCCCCCCOOOClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s13;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9Cl2NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33451 |
Area: | 496.097 |
Solvation: | -3.06792 |
Coulombic: | -65.731 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.131 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.67 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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