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Chemical ID: 4878687

Chemical ID:

4878687

Name [?]:

2-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine

SMILES [?]:

c1cc(c(c(c1)Cl)CSc2nnc(o2)CCN)Cl

InChi [?]:

InChI=1/C11H11Cl2N3OS/c12-8-2-1-3-9(13)7(8)6-18-11-16-15-10(17-11)4-5-14/h1-3H,4-6,14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,15,16,8,4,3,5,13,10,18,7,17,12,11,14,9/E:(2,3)(8,9)(12,13)/rA:18nCCCCCCClCSCNNCOCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s11;d12;s10s13;s13;s15;s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₁Cl₂N₃OS
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	10.653
Area:	488.131
Solvation:	-1.55033
Coulombic:	-28.3267

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	304.196
H-Bond Donors:	2
H-Bond Acceptors:	1
XLogP:	3.67
LogP (Chemaxon):	2.44

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value