Chemical ID: 4165525

c1ccc(cc1)N2C(=O)C=CC2=O
Chemical ID:
4165525
Name [?]:
1-phenylpyrrole-2,5-dione
SMILES [?]:
c1ccc(cc1)N2C(=O)C=CC2=O
InChi [?]:
InChI=1/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,4,8,12,7,9,13/E:(2,3)(4,5)(6,7)(9,10)(12,13)/rA:13nCCCCCCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s7s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.89081
Area:324.073
Solvation:-2.211
Coulombic:-26.0248
Bond Count [?]
All:14
Single:8
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:173.168
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.03
LogP (Chemaxon):1.27

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