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Chemical ID: 7196782
Chemical ID:
7196782
Name [?]:
1-[(2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])OCn2ccc(n2)C(=O)NN
InChi [?]:
InChI=1/C11H11N5O4/c12-13-11(17)8-5-6-15(14-8)7-20-10-4-2-1-3-9(10)16(18)19/h1-6H,7,12H2,(H,13,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,13,11,15,5,4,17,20,19,16,12,7,18,8,9,10/E:(18,19)/CRV:16.5/rA:20nCCCCCCN+OO-OCNCCCNCONN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;s12;d13;s14;s12d15;s15;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N5O4 |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.35554 |
Area: | 466.199 |
Solvation: | -10.2994 |
Coulombic: | -51.6339 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 277.236 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 0.56 |
LogP (Chemaxon): | 1.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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