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Chemical ID: 4484021
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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