Chemical ID: 6713925

c1ccc(cc1)CN2Cc3cccc(c3C2=O)C(=O)[O-]
Chemical ID:
6713925
Name [?]:
2-benzyl-3-oxo-isoindoline-4-carboxylate
SMILES [?]:
c1ccc(cc1)CN2Cc3cccc(c3C2=O)C(=O)[O-]
InChi [?]:
InChI=1/C16H13NO3/c18-15-14-12(7-4-8-13(14)16(19)20)10-17(15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,12,3,5,11,13,7,9,4,10,14,15,16,18,8,17,19,20/E:(2,3)(5,6)(19,20)/rA:20nCCCCCCCNCCCCCCCCOCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8s15;d16;s14;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12NO3-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-35.2303
Area:437.408
Solvation:-46.1655
Coulombic:-14.2276
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.271
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.1
LogP (Chemaxon):2.21

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Descriptor Annotations

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