Chemical ID: 4247469

COc1ccc(cc1O)c2nc3ccccc3s2
Chemical ID:
4247469
Name [?]:
5-benzothiazol-2-yl-2-methoxy-phenol
SMILES [?]:
COc1ccc(cc1O)c2nc3ccccc3s2
InChi [?]:
InChI=1/C14H11NO2S/c1-17-12-7-6-9(8-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,5,4,7,6,12,8,3,17,10,11,9,2,18/rA:18nCOCCCCCCOCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s11;s12;d13;s14;d15;d12s16;s10s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.37387
Area:433.98
Solvation:-3.47562
Coulombic:-30.9325
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.309
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.98
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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