Chemical ID: 6519641

c1cc2c(cc1[N+](=O)[O-])c(c(c(=O)o2)[N+](=O)[O-])N3CCOCC3
Chemical ID:
6519641
Name [?]:
4-morpholino-3,6-dinitro-chromen-2-one
SMILES [?]:
c1cc2c(cc1[N+](=O)[O-])c(c(c(=O)o2)[N+](=O)[O-])N3CCOCC3
InChi [?]:
InChI=1/C13H11N3O7/c17-13-12(16(20)21)11(14-3-5-22-6-4-14)9-7-8(15(18)19)1-2-10(9)23-13/h1-2,7H,3-6H2
InChi Info:
AuxInfo=1/0/N:1,2,19,23,20,22,5,6,4,3,10,11,12,18,7,15,13,8,9,16,17,21,14/E:(3,4)(5,6)(18,19)(20,21)/CRV:15.5,16.5/rA:23nCCCCCCN+OO-CCCOON+OO-NCCOCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s11;d12;s3s12;s11;d15;s15;s10;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N3O7
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-4.25247
Area:463.982
Solvation:-15.852
Coulombic:-53.6508
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.242
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:1.77
LogP (Chemaxon):1.94

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Descriptor Annotations

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