Chemical ID: 4517185

c1ccc(cc1)CN2C(=O)c3cccc(c3C2=O)[N+](=O)[O-]
Chemical ID:
4517185
Name [?]:
2-benzyl-4-nitro-isoindoline-1,3-dione
SMILES [?]:
c1ccc(cc1)CN2C(=O)c3cccc(c3C2=O)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H10N2O4/c18-14-11-7-4-8-12(17(20)21)13(11)15(19)16(14)9-10-5-2-1-3-6-10/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,3,5,12,14,7,4,11,15,16,9,17,8,19,10,18,20,21/E:(2,3)(5,6)(20,21)/CRV:17.5/rA:21nCCCCCCCNCOCCCCCCCON+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;d17;s15;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:1.66038
Area:443.716
Solvation:-9.43252
Coulombic:-34.6633
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.251
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.61
LogP (Chemaxon):2.36

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Descriptor Annotations

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