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Chemical ID: 6935073
Chemical ID:
6935073
Name [?]:
4-chloro-N-(2,5-dimethylphenyl)-3,5-dinitro-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-])C
InChi [?]:
InChI=1/C15H12ClN3O5/c1-8-3-4-9(2)11(5-8)17-15(20)10-6-12(18(21)22)14(16)13(7-10)19(23)24/h3-7H,1-2H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,24,3,4,7,12,16,2,5,11,6,13,15,14,9,20,8,21,17,10,22,23,18,19/E:(6,7)(12,13)(18,19)(21,22,23,24)/CRV:18.5,19.5/rA:24nCCCCCCCNCOCCCCCCN+OO-ClN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;s13;d21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClN3O5 |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -2.81523 |
Area: | 523.978 |
Solvation: | -15.9147 |
Coulombic: | -34.6917 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.726 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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