Chemical ID: 7166282

Cc1cc(nn1CC(C)C(=O)N2CCOCC2)[N+](=O)[O-]
Chemical ID:
7166282
Name [?]:
2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-morpholino-propan-1-one
SMILES [?]:
Cc1cc(nn1CC(C)C(=O)N2CCOCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H18N4O4/c1-9(12(17)14-3-5-20-6-4-14)8-15-10(2)7-11(13-15)16(18)19/h7,9H,3-6,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:9,1,13,17,14,16,3,7,8,2,4,10,5,12,6,18,11,19,20,15/E:(3,4)(5,6)(18,19)/CRV:16.5/rA:20cCCCCNNCCCCONCCOCCN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s8;d10;s10;s12;s13;s14;s15;s12s16;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N4O4
All Atoms:38
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:2.14848
Area:476.33
Solvation:-9.75976
Coulombic:-42.1316
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:282.296
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.29
LogP (Chemaxon):0.56

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