Chemical ID: 7140950

c1cc(ccc1C=C2C(=O)NC(=Nc3cc(ccc3Cl)C(F)(F)F)S2)F
Chemical ID:
7140950
Name [?]:
2-[2-chloro-5-(trifluoromethyl)phenyl]imino-5-[(4-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3cc(ccc3Cl)C(F)(F)F)S2)F
InChi [?]:
InChI=1/C17H9ClF4N2OS/c18-12-6-3-10(17(20,21)22)8-13(12)23-16-24-15(25)14(26-16)7-9-1-4-11(19)5-2-9/h1-8H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,18,7,15,6,16,3,19,14,8,9,12,21,20,26,22,23,24,13,11,10,25/E:(1,2)(4,5)(20,21,22)/rA:26nCCCCCCCCCONCNCCCCCCClCFFFSF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s16;s21;s21;s21;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H9ClF4N2OS
All Atoms:35
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.60795
Area:535.747
Solvation:-3.78574
Coulombic:-51.3193
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:400.779
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):5.89

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Descriptor Annotations

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