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Chemical ID: 4780084
Chemical ID:
4780084
Name [?]:
None
SMILES [?]:
c1cc2c(cc1Cl)-c3c(c[nH]n3)CS2
InChi [?]:
InChI=1/C10H7ClN2S/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,13,9,6,4,3,8,7,11,12,14/rA:14nCCCCCCClCCCNNCS/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;d8s11;s9;s3s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7ClN2S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.51289 |
Area: | 366.638 |
Solvation: | -1.65306 |
Coulombic: | -11.0698 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 222.695 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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