Chemical ID: 6324075

CNC(=O)CCCN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]
Chemical ID:
6324075
Name [?]:
N-methyl-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)-butanamide
SMILES [?]:
CNC(=O)CCCN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H13N3O5/c1-14-10(17)6-3-7-15-12(18)8-4-2-5-9(16(20)21)11(8)13(15)19/h2,4-5H,3,6-7H2,1H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,13,6,12,14,5,7,11,15,3,16,9,17,2,8,19,4,10,18,20,21/E:(20,21)/CRV:16.5/rA:21nCNCOCCCNCOCCCCCCCON+OO-/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;d17;s15;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N3O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:1.23228
Area:481.278
Solvation:-10.7997
Coulombic:-52.0251
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.26
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:0.59
LogP (Chemaxon):-0.06

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Descriptor Annotations

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