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Chemical ID: 3967805
Chemical ID:
3967805
Name [?]:
5-chloro-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide
SMILES [?]:
c1cc(c(cc1N(=O)=O)Cl)NC(=O)c2cc(ccc2O)Cl
InChi [?]:
InChI=1/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
InChi Info:
AuxInfo=1/1/N:17,1,2,18,15,5,16,6,14,4,3,19,12,21,10,11,7,20,13,8,9/E:(20,21)/CRV:17.5/rA:21nCCCCCCNOOClNCOCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s4;s3;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Cl2N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.05075 |
Area: | 501.8 |
Solvation: | -8.49426 |
Coulombic: | -47.8094 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.119 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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