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Chemical ID: 4727398
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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