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Chemical ID: 4119924
Chemical ID:
4119924
Name [?]:
4-(2-thienylmethylamino)phenol
SMILES [?]:
c1cc(sc1)CNc2ccc(cc2)O
InChi [?]:
InChI=1/C11H11NOS/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h1-7,12-13H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,9,13,10,12,5,6,8,11,3,7,14,4/E:(3,4)(5,6)/rA:14nCCCSCCNCCCCCCO/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.56266 |
Area: | 388.659 |
Solvation: | -2.15381 |
Coulombic: | -29.2833 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.277 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.61 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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