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Chemical ID: 6156932
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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