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Chemical ID: 6679418
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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