Chemical ID: 5757580

Cc1c(c[nH]n1)[N+](=O)[O-]
Chemical ID:
5757580
Name [?]:
3-methyl-4-nitro-1H-pyrazole
SMILES [?]:
Cc1c(c[nH]n1)[N+](=O)[O-]
InChi [?]:
InChI=1/C4H5N3O2/c1-3-4(7(8)9)2-5-6-3/h2H,1H3,(H,5,6)
InChi Info:
AuxInfo=1/1/N:1,4,2,3,5,6,7,8,9/E:(8,9)/CRV:7.5/rA:9nCCCCNNN+OO-/rB:s1;s2;d3;s4;d2s5;s3;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H5N3O2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:0.493343
Area:265.208
Solvation:-6.13687
Coulombic:-21.9433
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:127.102
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.03
LogP (Chemaxon):0.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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