Chemical ID: 7092544

c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3ccncc3
Chemical ID:
7092544
Name [?]:
3-oxo-2-(4-pyridylmethyl)isoindoline-4-carboxylic acid
SMILES [?]:
c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3ccncc3
InChi [?]:
InChI=1/C15H12N2O3/c18-14-13-11(2-1-3-12(13)15(19)20)9-17(14)8-10-4-6-16-7-5-10/h1-7H,8-9H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,20,17,19,14,13,15,3,5,4,10,7,18,12,11,8,9/E:(4,5)(6,7)(19,20)/rA:20nCCCCCCCOOCONCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;s3s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O3
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.96289
Area:438.646
Solvation:-4.00326
Coulombic:-47.893
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.267
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):-0.41

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Descriptor Annotations

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