Chemical ID: 5822597

Cc1cc(ccc1[N+](=O)[O-])C(=O)N
Chemical ID:
5822597
Name [?]:
3-methyl-4-nitro-benzamide
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])C(=O)N
InChi [?]:
InChI=1/C8H8N2O3/c1-5-4-6(8(9)11)2-3-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,5,6,3,2,4,7,11,13,8,12,9,10/E:(12,13)/CRV:10.5/rA:13nCCCCCCCN+OO-CON/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:1.43082
Area:339.299
Solvation:-7.05164
Coulombic:-37.5656
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.161
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.9
LogP (Chemaxon):1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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