Chemical ID: 4150679

c1cc(ccc1C=NNc2nc(cs2)c3ccc(cc3Cl)Cl)O
Chemical ID:
4150679
Name [?]:
4-[[4-(2,4-dichlorophenyl)thiazol-2-yl]aminoiminomethyl]phenol
SMILES [?]:
c1cc(ccc1C=NNc2nc(cs2)c3ccc(cc3Cl)Cl)O
InChi [?]:
InChI=1/C16H11Cl2N3OS/c17-11-3-6-13(14(18)7-11)15-9-23-16(20-15)21-19-8-10-1-4-12(22)5-2-10/h1-9,22H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,16,19,7,13,6,18,3,15,20,12,10,22,21,8,11,9,23,14/E:(1,2)(4,5)/rA:23nCCCCCCCNNCNCCSCCCCCCClClO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s20;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11Cl2N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6149
Area:551.442
Solvation:-3.17111
Coulombic:-33.9261
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:364.25
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.01
LogP (Chemaxon):5.9

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue