Chemical ID: 5236679

c1cc2n(c1)-c3c(ccs3)CN=C2
Chemical ID:
5236679
Name [?]:
None
SMILES [?]:
c1cc2n(c1)-c3c(ccs3)CN=C2
InChi [?]:
InChI=1/C10H8N2S/c1-2-9-7-11-6-8-3-5-13-10(8)12(9)4-1/h1-5,7H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,8,5,9,11,13,7,3,6,12,4,10/rA:13nCCCNCCCCCSCNC/rB:s1;d2;s3;d1s4;s4;d6;s7;d8;s6s9;s7;s11;s3d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.50277
Area:330.671
Solvation:-1.76401
Coulombic:-11.626
Bond Count [?]
All:15
Single:10
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:188.25
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.3
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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