Chemical ID: 6824889

c1ccc2c(c1)C(=O)N(C2=O)CCCc3nc(no3)c4ccc(cc4)Cl
Chemical ID:
6824889
Name [?]:
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]isoindoline-1,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)CCCc3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C19H14ClN3O3/c20-13-9-7-12(8-10-13)17-21-16(26-22-17)6-3-11-23-18(24)14-4-1-2-5-15(14)19(23)25/h1-2,4-5,7-10H,3,6,11H2
InChi Info:
AuxInfo=1/0/N:1,2,13,6,3,14,21,25,22,24,12,20,23,5,4,15,17,7,10,26,16,18,9,8,11,19/E:(1,2)(4,5)(7,8)(9,10)(14,15)(18,19)(24,25)/rA:26nCCCCCCCONCOCCCCNCNOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClN3O3
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.8227
Area:592.333
Solvation:-2.98562
Coulombic:-39.8974
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.786
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):3.35

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