Chemical ID: 6318576

CC(C(=O)NN=Cc1ccc(c(c1)O)OC)Oc2ccc(cc2Cl)Cl
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

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