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Chemical ID: 7115090
Chemical ID:
7115090
Name [?]:
2-(2-pyrrol-1-ylthiazol-4-yl)phenol
SMILES [?]:
c1ccc(c(c1)c2csc(n2)n3cccc3)O
InChi [?]:
InChI=1/C13H10N2OS/c16-12-6-2-1-5-10(12)11-9-17-13(14-11)15-7-3-4-8-15/h1-9,16H
InChi Info:
AuxInfo=1/0/N:1,2,14,15,6,3,13,16,8,5,7,4,10,11,12,17,9/E:(3,4)(7,8)/rA:17nCCCCCCCCSCNNCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s7d10;s10;s12;d13;s14;s12d15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10N2OS |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53635 |
Area: | 410.202 |
Solvation: | -2.7187 |
Coulombic: | -28.5587 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 242.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.12 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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