Chemical ID: 6324074

c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)N
Chemical ID:
6324074
Name [?]:
4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide
SMILES [?]:
c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)N
InChi [?]:
InChI=1/C12H11N3O5/c13-9(16)5-2-6-14-11(17)7-3-1-4-8(15(19)20)10(7)12(14)18/h1,3-4H,2,5-6H2,(H2,13,16)
InChi Info:
AuxInfo=1/1/N:1,16,2,6,17,15,3,5,18,4,13,10,20,12,7,19,14,11,8,9/E:(19,20)/CRV:15.5/rA:20nCCCCCCN+OO-CONCOCCCCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N3O5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:0.620491
Area:457.307
Solvation:-10.8122
Coulombic:-56.2845
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.233
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:0.07
LogP (Chemaxon):-0.31

Name Annotations

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Descriptor Annotations

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