Chemical ID: 7115090

c1ccc(c(c1)c2csc(n2)n3cccc3)O
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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