Chemical ID: 7304328

Cc1c(c(n(n1)CC(=O)Nc2cccc(c2)Cl)C)[N+](=O)[O-]
Chemical ID:
7304328
Name [?]:
N-(3-chlorophenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-acetamide
SMILES [?]:
Cc1c(c(n(n1)CC(=O)Nc2cccc(c2)Cl)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H13ClN4O3/c1-8-13(18(20)21)9(2)17(16-8)7-12(19)15-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,18,13,14,12,16,7,2,4,15,11,8,3,17,10,6,5,19,9,20,21/E:(20,21)/CRV:18.5/rA:21nCCCCNNCCONCCCCCCClCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s4;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN4O3
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.07041
Area:505.648
Solvation:-7.57079
Coulombic:-38.413
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.72
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.43
LogP (Chemaxon):2.06

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