Chemical ID: 4721227

c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
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

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Descriptor Annotations

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