Chemical ID: 6392964

c1ccc(cc1)C(=O)N2C(=O)c3ccccc3C2=O
Chemical ID:
6392964
Name [?]:
2-benzoylisoindoline-1,3-dione
SMILES [?]:
c1ccc(cc1)C(=O)N2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C15H9NO3/c17-13(10-6-2-1-3-7-10)16-14(18)11-8-4-5-9-12(11)15(16)19/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,4,12,17,7,10,18,9,8,11,19/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)(18,19)/rA:19nCCCCCCCONCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.221
Area:411.613
Solvation:-3.06933
Coulombic:-36.6717
Bond Count [?]
All:21
Single:12
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.237
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):2.11

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Descriptor Annotations

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