Chemical ID: 4644629

Cc1cc(nn1Cc2ccc(cc2)C(=O)NN)N(=O)=O
Chemical ID:
4644629
Name [?]:
4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzohydrazide
SMILES [?]:
Cc1cc(nn1Cc2ccc(cc2)C(=O)NN)N(=O)=O
InChi [?]:
InChI=1/C12H13N5O3/c1-8-6-11(17(19)20)15-16(8)7-9-2-4-10(5-3-9)12(18)14-13/h2-6H,7,13H2,1H3,(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,9,13,10,12,3,7,2,8,11,4,14,17,16,5,6,18,15,19,20/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:20nCCCCNNCCCCCCCCONNNOO/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s4;d18;d18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N5O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.50754
Area:473.208
Solvation:-9.32265
Coulombic:-47.339
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.264
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.17
LogP (Chemaxon):1.4

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