Chemical ID: 4727130

c1ccc2c(c1)nc(s2)C=O
Chemical ID:
4727130
Name [?]:
benzothiazole-2-carbaldehyde
SMILES [?]:
c1ccc2c(c1)nc(s2)C=O
InChi [?]:
InChI=1/C8H5NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,5,4,8,7,11,9/rA:11nCCCCCCNCSCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5NOS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.86528
Area:313.556
Solvation:-1.97362
Coulombic:-14.5701
Bond Count [?]
All:12
Single:7
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:163.197
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.22
LogP (Chemaxon):2.72

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Descriptor Annotations

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