Chemical ID: 7291499

c1cc(sc1)CNC(=O)c2ccc(cc2)I
Chemical ID:
7291499
Name [?]:
4-iodo-N-(2-thienylmethyl)benzamide
SMILES [?]:
c1cc(sc1)CNC(=O)c2ccc(cc2)I
InChi [?]:
InChI=1/C12H10INOS/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,5,6,10,13,3,8,16,7,9,4/E:(3,4)(5,6)/rA:16nCCCSCCNCOCCCCCCI/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10INOS
All Atoms:26
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.6677
Area:455.248
Solvation:-1.7135
Coulombic:-24.2206
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:343.184
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.27
LogP (Chemaxon):3.13

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Descriptor Annotations

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