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Chemical ID: 6322362
Chemical ID:
6322362
Name [?]:
N,N-dibutyl-4-methyl-3-nitro-benzamide
SMILES [?]:
CCCCN(CCCC)C(=O)c1ccc(c(c1)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H24N2O3/c1-4-6-10-17(11-7-5-2)16(19)14-9-8-13(3)15(12-14)18(20)21/h8-9,12H,4-7,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,21,2,8,3,7,14,13,4,6,17,15,12,16,10,5,18,11,19,20/E:(1,2)(4,5)(6,7)(10,11)(20,21)/CRV:18.5/rA:21nCCCCNCCCCCOCCCCCCN+OO-C/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.34067 |
Area: | 522.359 |
Solvation: | -6.71831 |
Coulombic: | -30.622 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 292.373 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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