Chemical ID: 5567483

CC[N+](=Cc1c(nns1)c2ccccc2)[O-]
Chemical ID:
5567483
Name [?]:
ethyl-oxido-[(4-phenylthiadiazol-5-yl)methylene]ammonium
SMILES [?]:
CC[N+](=Cc1c(nns1)c2ccccc2)[O-]
InChi [?]:
InChI=1/C11H11N3OS/c1-2-14(15)8-10-11(12-13-16-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,15,4,10,5,6,7,8,3,16,9/E:(4,5)(6,7)/CRV:14.5/rA:16nCCN+CCCNNSCCCCCCO-/rB:s1;s2;w3;s4;d5;s6;d7;s5s8;s6;s10;d11;s12;d13;d10s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N3OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-1.20649
Area:403.696
Solvation:-11.2989
Coulombic:-10.8659
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:233.291
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.06
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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