ChemDB: Chemical Search
Download
Chemical ID: 4177627
Chemical ID:
4177627
Name [?]:
4-[(4-phenylthiazol-2-yl)aminoiminomethyl]phenol
SMILES [?]:
c1ccc(cc1)c2csc(n2)NN=Cc3ccc(cc3)O
InChi [?]:
InChI=1/C16H13N3OS/c20-14-8-6-12(7-9-14)10-17-19-16-18-15(11-21-16)13-4-2-1-3-5-13/h1-11,20H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,14,8,15,4,18,7,10,13,11,12,21,9/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCCSCNNNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N3OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56021 |
Area: | 501.315 |
Solvation: | -2.97266 |
Coulombic: | -34.31 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.36 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.86 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|