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Chemical ID: 4721227
Chemical ID:
4721227
Name [?]:
1-[(2-chlorothiazol-5-yl)methyl]indole
SMILES [?]:
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
InChi [?]:
InChI=1/C12H9ClN2S/c13-12-14-7-10(16-12)8-15-6-5-9-3-1-2-4-11(9)15/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,12,10,5,11,4,14,16,13,9,15/rA:16nCCCCCCCCNCCCNCSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;d11;s12;d13;s11s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9ClN2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86199 |
Area: | 415.3 |
Solvation: | -1.52052 |
Coulombic: | -13.6704 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 248.732 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.64 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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