Chemical ID: 6204442

Cc1cccc2c1N(C(=O)C2=C3C(=O)NC(=S)N3)C
Chemical ID:
6204442
Name [?]:
1,7-dimethyl-3-(5-oxo-2-thioxo-imidazolidin-4-ylidene)-indolin-2-one
SMILES [?]:
Cc1cccc2c1N(C(=O)C2=C3C(=O)NC(=S)N3)C
InChi [?]:
InChI=1/C13H11N3O2S/c1-6-4-3-5-7-8(12(18)16(2)10(6)7)9-11(17)15-13(19)14-9/h3-5H,1-2H3,(H2,14,15,17,19)
InChi Info:
AuxInfo=1/1/N:1,19,4,3,5,2,6,11,12,7,13,9,16,18,15,8,14,10,17/rA:19nCCCCCCCNCOCCCONCSNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s9;w11;s12;d13;s13;s15;d16;s12s16;s8;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.87293
Area:429.496
Solvation:-1.86447
Coulombic:-50.8807
Bond Count [?]
All:21
Single:14
Double:7
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:273.311
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.21
LogP (Chemaxon):0.68

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Descriptor Annotations

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