Chemical ID: 4083905

c1ccc2c(c1)CN(C2)c3cccc(c3)C(=O)O
Chemical ID:
4083905
Name [?]:
3-isoindolin-2-ylbenzoic acid
SMILES [?]:
c1ccc2c(c1)CN(C2)c3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C15H13NO2/c17-15(18)11-6-3-7-14(8-11)16-9-12-4-1-2-5-13(12)10-16/h1-8H,9-10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,12,6,3,13,11,15,7,9,14,5,4,10,16,8,17,18/E:(1,2)(4,5)(9,10)(12,13)(17,18)/rA:18nCCCCCCCNCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.08128
Area:416.833
Solvation:-2.33956
Coulombic:-35.7444
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:239.269
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.33

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