Chemical ID: 4776125

c1ccc(cc1)C(=O)c2ccccc2N3C(=O)C=CC3=O
Chemical ID:
4776125
Name [?]:
1-(2-benzoylphenyl)pyrrole-2,5-dione
SMILES [?]:
c1ccc(cc1)C(=O)c2ccccc2N3C(=O)C=CC3=O
InChi [?]:
InChI=1/C17H11NO3/c19-15-10-11-16(20)18(15)14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,18,19,4,9,14,16,20,7,15,17,21,8/E:(2,3)(6,7)(10,11)(15,16)(19,20)/rA:21nCCCCCCCOCCCCCCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;d16;s16;d18;s15s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.25211
Area:432.63
Solvation:-3.56364
Coulombic:-35.3784
Bond Count [?]
All:23
Single:13
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.274
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.59
LogP (Chemaxon):2.49

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Descriptor Annotations

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