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Chemical ID: 4254114
Chemical ID:
4254114
Name [?]:
2-(4-methyl-2-nitro-phenoxy)propanehydrazide
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])OC(C)C(=O)NN
InChi [?]:
InChI=1/C10H13N3O4/c1-6-3-4-9(8(5-6)13(15)16)17-7(2)10(14)12-11/h3-5,7H,11H2,1-2H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,13,3,4,7,2,12,6,5,14,17,16,8,15,9,10,11/E:(15,16)/CRV:13.5/rA:17cCCCCCCCN+OO-OCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;s12;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N3O4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -1.90426 |
Area: | 414.456 |
Solvation: | -12.2657 |
Coulombic: | -43.1995 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 239.228 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 0.84 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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