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Chemical ID: 6400786
Chemical ID:
6400786
Name [?]:
N-(2-methoxy-4-nitro-phenyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(cc1OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H16N2O4/c1-12(2,3)11(15)13-9-6-5-8(14(16)17)7-10(9)18-4/h5-7H,1-4H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,10,9,12,11,8,13,5,2,7,16,6,17,18,14/E:(1,2,3)(16,17)/CRV:14.5/rA:18nCCCCCONCCCCCCOCN+OO-/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.54779 |
Area: | 439.162 |
Solvation: | -7.43125 |
Coulombic: | -39.4224 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 252.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.71 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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