Chemical ID: 6156932

c1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3cccc(c3)Cl
Chemical ID:
6156932
Name [?]:
N-(3-chlorophenyl)-2,3-diphenyl-prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C21H16ClNO/c22-18-12-7-13-19(15-18)23-21(24)20(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-15H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,20,3,5,10,14,21,19,7,23,4,9,22,18,8,15,24,17,16/E:(3,4)(5,6)(8,9)(10,11)/rA:24nCCCCCCCCCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16ClNO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.5427
Area:536.75
Solvation:-1.87603
Coulombic:-26.6693
Bond Count [?]
All:26
Single:15
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:333.811
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.74
LogP (Chemaxon):5.71

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