Chemical ID: 4696490

c1ccc(c(c1)C#N)OCc2cnc(s2)Cl
Chemical ID:
4696490
Name [?]:
2-[(2-chlorothiazol-5-yl)methoxy]benzonitrile
SMILES [?]:
c1ccc(c(c1)C#N)OCc2cnc(s2)Cl
InChi [?]:
InChI=1/C11H7ClN2OS/c12-11-14-6-9(16-11)7-15-10-4-2-1-3-8(10)5-13/h1-4,6H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,12,10,5,11,4,14,16,8,13,9,15/rA:16nCCCCCCCNOCCCNCSCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;s10;d11;s12;d13;s11s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7ClN2OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.13986
Area:440.645
Solvation:-2.87626
Coulombic:-18.2379
Bond Count [?]
All:17
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.705
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):2.58

Name Annotations

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Descriptor Annotations

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