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Chemical ID: 6138136
Chemical ID:
6138136
Name [?]:
4-chloro-N-(2,3-dimethylphenyl)-3-nitro-benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C15H13ClN2O3/c1-9-4-3-5-13(10(9)2)17-15(19)11-6-7-12(16)14(8-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,13,14,17,2,7,12,15,6,16,10,21,9,18,11,19,20/E:(20,21)/CRV:18.5/rA:21nCCCCCCCCNCOCCCCCCN+OO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.18618 |
Area: | 485.692 |
Solvation: | -7.95611 |
Coulombic: | -31.9313 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.728 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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