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Chemical ID: 6383244
Chemical ID:
6383244
Name [?]:
N-(5-chloro-2-methyl-phenyl)-4-methyl-3-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)Cl
InChi [?]:
InChI=1/C15H13ClN2O3/c1-9-4-6-12(16)8-13(9)17-15(19)11-5-3-10(2)14(7-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,13,3,12,4,16,6,2,14,11,5,7,15,9,21,8,17,10,18,19/E:(20,21)/CRV:18.5/rA:21nCCCCCCCNCOCCCCCCN+OO-CCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.31817 |
Area: | 494.12 |
Solvation: | -7.03483 |
Coulombic: | -33.9059 |
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: | 3.84 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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