Chemical ID: 4727398

c1ccn(c1)c2ccsc2CO
Chemical ID:
4727398
Name [?]:
(3-pyrrol-1-yl-2-thienyl)methanol
SMILES [?]:
c1ccn(c1)c2ccsc2CO
InChi [?]:
InChI=1/C9H9NOS/c11-7-9-8(3-6-12-9)10-4-1-2-5-10/h1-6,11H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,7,5,3,8,11,6,10,4,12,9/E:(1,2)(4,5)/rA:12nCCCNCCCCSCCO/rB:s1;d2;s3;d1s4;s4;s6;d7;s8;d6s9;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NOS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.11007
Area:333.727
Solvation:-2.23311
Coulombic:-22.72
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.24
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.27
LogP (Chemaxon):1.59

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Descriptor Annotations

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