ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4766030

Chemical ID:

4766030

Name [?]:

4-(4-phenylthiazol-2-yl)pyridine

SMILES [?]:

c1ccc(cc1)c2csc(n2)c3ccncc3

InChi [?]:

InChI=1/C14H10N2S/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12/h1-10H

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,13,17,14,16,8,4,12,7,10,15,11,9/E:(2,3)(4,5)(6,7)(8,9)/rA:17nCCCCCCCCSCNCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₀N₂S
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.75709
Area:	423.669
Solvation:	-1.83465
Coulombic:	-12.3943

Bond Count [?]

All:	19
Single:	11
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	238.309
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	3.14
LogP (Chemaxon):	3.46

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value