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Chemical ID: 6935224
Chemical ID:
6935224
Name [?]:
N-(2,6-dimethylphenyl)-2-methyl-3,5-dinitro-benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H15N3O5/c1-9-5-4-6-10(2)15(9)17-16(20)13-7-12(18(21)22)8-14(11(13)3)19(23)24/h4-8H,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,24,17,4,3,5,12,14,2,6,16,13,11,15,7,9,8,21,18,10,22,23,19,20/E:(1,2)(5,6)(9,10)(21,22)(23,24)/CRV:18.5,19.5/rA:24nCCCCCCCNCOCCCCCCCN+OO-N+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s15;d18;s18;s13;d21;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3O5 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -1.24979 |
Area: | 512.663 |
Solvation: | -14.0664 |
Coulombic: | -37.9898 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.308 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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