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Chemical ID: 6376173
Chemical ID:
6376173
Name [?]:
4-chloro-N-(5-chloro-2-methyl-phenyl)-2-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccc(cc2[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2N2O3/c1-8-2-3-9(15)6-12(8)17-14(19)11-5-4-10(16)7-13(11)18(20)21/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,6,15,2,5,14,11,7,16,9,21,20,8,17,10,18,19/E:(20,21)/CRV:18.5/rA:21nCCCCCCCNCOCCCCCCN+OO-ClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s17;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.61181 |
Area: | 501.171 |
Solvation: | -8.91746 |
Coulombic: | -30.0325 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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