Chemical ID: 4597290

c1ccc2c(c1)N3CC(CN=C3S2)O
Chemical ID:
4597290
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)N3CC(CN=C3S2)O
InChi [?]:
InChI=1/C10H10N2OS/c13-7-5-11-10-12(6-7)8-3-1-2-4-9(8)14-10/h1-4,7,13H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,8,9,5,4,12,11,7,14,13/rA:14cCCCCCCNCCCNCSO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7d11;s4s12;s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.59683
Area:353.139
Solvation:-2.23164
Coulombic:-31.2332
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:206.265
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.49
LogP (Chemaxon):2.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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