Chemical ID: 6506353

Cc1ccc(cc1)SC=C2c3ccccc3C(=O)N2
Chemical ID:
6506353
Name [?]:
3-(p-tolylsulfanylmethylene)isoindolin-1-one
SMILES [?]:
Cc1ccc(cc1)SC=C2c3ccccc3C(=O)N2
InChi [?]:
InChI=1/C16H13NOS/c1-11-6-8-12(9-7-11)19-10-15-13-4-2-3-5-14(13)16(18)17-15/h2-10H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,3,7,4,6,9,2,5,11,16,10,17,19,18,8/E:(6,7)(8,9)/rA:19nCCCCCCCSCCCCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;w9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NOS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.77417
Area:458.382
Solvation:-1.6854
Coulombic:-24.6144
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:267.347
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.53
LogP (Chemaxon):2.82

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