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Chemical ID: 6869863
Chemical ID:
6869863
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3-(4-ethoxy-3-methoxy-phenyl)-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1OC)C=CC(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C19H20ClNO3/c1-4-24-17-10-8-14(12-18(17)23-3)9-11-19(22)21-16-7-5-6-15(20)13(16)2/h5-12H,4H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,11,2,19,20,18,6,12,5,13,8,22,7,21,17,4,9,14,24,16,15,10,3/rA:24nCCOCCCCCCOCCCCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClNO3 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59585 |
Area: | 556.439 |
Solvation: | -5.31511 |
Coulombic: | -36.5042 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.82 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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