Chemical ID: 7139991

c1ccc(cc1)C=C2C(=O)NC(=Nc3ccccc3Br)S2
Chemical ID:
7139991
Name [?]:
5-benzylidene-2-(2-bromophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)NC(=Nc3ccccc3Br)S2
InChi [?]:
InChI=1/C16H11BrN2OS/c17-12-8-4-5-9-13(12)18-16-19-15(20)14(21-16)10-11-6-2-1-3-7-11/h1-10H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,16,3,5,18,15,7,4,19,14,8,9,12,20,13,11,10,21/E:(2,3)(6,7)/rA:21nCCCCCCCCCONCNCCCCCCBrS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrN2OS
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5057
Area:493.278
Solvation:-1.82621
Coulombic:-30.8901
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:359.241
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.89
LogP (Chemaxon):5.14

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Descriptor Annotations

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