Chemical ID: 6508079

CC(C(=O)Nc1ccccc1)Sc2ccc(cc2)Cl
Chemical ID:
6508079
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-phenyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccccc1)Sc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H14ClNOS/c1-11(19-14-9-7-12(16)8-10-14)15(18)17-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,11,15,17,14,18,2,16,6,13,3,19,5,4,12/E:(3,4)(5,6)(7,8)(9,10)/rA:19cCCCONCCCCCCSCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClNOS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.58334
Area:480.688
Solvation:-2.43386
Coulombic:-23.4379
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.797
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.15
LogP (Chemaxon):4.52

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