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Chemical ID: 4150679
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
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Experimental Annotations
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Descriptor Annotations
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