Chemical ID: 6431712

C1CCc2c(c3c(c([nH]c3s2)C#N)N)C1
Chemical ID:
6431712
Name [?]:
None
SMILES [?]:
C1CCc2c(c3c(c([nH]c3s2)C#N)N)C1
InChi [?]:
InChI=1/C11H11N3S/c12-5-7-10(13)9-6-3-1-2-4-8(6)15-11(9)14-7/h14H,1-4,13H2
InChi Info:
AuxInfo=1/0/N:1,2,15,3,12,5,8,4,6,7,10,13,14,9,11/rA:15nCCCCCCCCNCSCNNC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d6s9;s4s10;s8;t12;s7;s1s5;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N3S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.43073
Area:379.128
Solvation:-1.04748
Coulombic:-32.9119
Bond Count [?]
All:17
Single:13
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:217.291
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.57
LogP (Chemaxon):1.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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