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Chemical ID: 6318576
Chemical ID:
6318576
Name [?]:
2-(2,4-dichlorophenoxy)-N-[(3-hydroxy-4-methoxy-phenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)O)OC)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C17H16Cl2N2O4/c1-10(25-15-6-4-12(18)8-13(15)19)17(23)21-20-9-11-3-5-16(24-2)14(22)7-11/h3-10,22H,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,9,20,10,19,13,22,7,2,8,21,23,12,18,11,3,25,24,6,5,14,4,15,17/rA:25cCCCONNCCCCCCCOOCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s11;s15;s2;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Cl2N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.75005 |
Area: | 594.375 |
Solvation: | -8.10931 |
Coulombic: | -48.8323 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 383.225 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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