Chemical ID: 7086647

c1cc(sc1)CNc2ccc(cc2)Br
Chemical ID:
7086647
Name [?]:
4-bromo-N-(2-thienylmethyl)aniline
SMILES [?]:
c1cc(sc1)CNc2ccc(cc2)Br
InChi [?]:
InChI=1/C11H10BrNS/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,10,12,9,13,5,6,11,8,3,14,7,4/E:(3,4)(5,6)/rA:14nCCCSCCNCCCCCCBr/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10BrNS
All Atoms:24
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.87243
Area:402.895
Solvation:-1.19994
Coulombic:-14.1349
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.174
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.24
LogP (Chemaxon):3.6

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Descriptor Annotations

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