Chemical ID: 6679418

c1c2c(cc3c1nc(s3)N)CCCC2
Chemical ID:
6679418
Name [?]:
None
SMILES [?]:
c1c2c(cc3c1nc(s3)N)CCCC2
InChi [?]:
InChI=1/C11H12N2S/c12-11-13-9-5-7-3-1-2-4-8(7)6-10(9)14-11/h5-6H,1-4H2,(H2,12,13)
InChi Info:
AuxInfo=1/1/N:13,12,14,11,1,4,2,3,6,5,8,10,7,9/rA:14nCCCCCCNCSNCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s5s8;s8;s3;s11;s12;s2s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.09958
Area:360.267
Solvation:-0.907084
Coulombic:-23.7849
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:204.292
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.58
LogP (Chemaxon):3.52

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Descriptor Annotations

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