Chemical ID: 7196782

c1ccc(c(c1)[N+](=O)[O-])OCn2ccc(n2)C(=O)NN
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

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Descriptor Annotations

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