Chemical ID: 4484021

c1ccc(cc1)SCCC(=O)Nc2cccc(c2Cl)Cl
Chemical ID:
4484021
Name [?]:
N-(2,3-dichlorophenyl)-3-phenylsulfanyl-propanamide
SMILES [?]:
c1ccc(cc1)SCCC(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NOS/c16-12-7-4-8-13(15(12)17)18-14(19)9-10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,3,5,16,14,9,8,4,17,13,10,18,20,19,12,11,7/E:(2,3)(5,6)/rA:20nCCCCCCSCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13Cl2NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.1797
Area:522.182
Solvation:-1.87485
Coulombic:-23.8864
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.241
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.84
LogP (Chemaxon):4.24

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