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Chemical ID: 7356779

Chemical ID:

7356779

Name [?]:

2-chloro-N-[5-(m-tolylmethyl)thiazol-2-yl]-propanamide

SMILES [?]:

Cc1cccc(c1)Cc2cnc(s2)NC(=O)C(C)Cl

InChi [?]:

InChI=1/C14H15ClN2OS/c1-9-4-3-5-11(6-9)7-12-8-16-14(19-12)17-13(18)10(2)15/h3-6,8,10H,7H2,1-2H3,(H,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,18,4,3,5,7,8,10,2,17,6,9,15,12,19,11,14,16,13/rA:19cCCCCCCCCCCNCSNCOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅ClN₂OS
All Atoms:	34
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	9.23032
Area:	497.669
Solvation:	-3.2114
Coulombic:	-26.5652

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	294.8
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.2
LogP (Chemaxon):	3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value