Chemical ID: 5327634

c1ccc(c(c1)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O)[N+](=O)[O-]
Chemical ID:
5327634
Name [?]:
3-(3-chloro-4-hydroxy-phenyl)amino-4-(2-nitrophenyl)-pyrrole-2,5-dione
SMILES [?]:
c1ccc(c(c1)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,20,15,5,19,4,18,7,8,12,9,21,14,11,23,22,13,10,24,25/E:(24,25)/CRV:20.5/rA:25nCCCCCCCCCONCONCCCCCCClON+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s9;s7s11;d12;s8;s14;s15;d16;s17;d18;d15s19;s19;s18;s4;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClN3O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.50965
Area:528.885
Solvation:-8.71247
Coulombic:-69.7396
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:359.721
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.71
LogP (Chemaxon):2.22

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Descriptor Annotations

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