Chemical ID: 4727002

c1cc2c(cc1Cl)c(cs2)CO
Chemical ID:
4727002
Name [?]:
(5-chlorobenzothiophen-3-yl)methanol
SMILES [?]:
c1cc2c(cc1Cl)c(cs2)CO
InChi [?]:
InChI=1/C9H7ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,11,9,8,6,4,3,7,12,10/rA:12nCCCCCCClCCSCO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s8;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7ClOS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.97066
Area:350.658
Solvation:-1.79578
Coulombic:-18.7655
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:198.67
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.53
LogP (Chemaxon):3.08

Name Annotations

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Descriptor Annotations

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