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Chemical ID: 4296067
Chemical ID:
4296067
Name [?]:
2-(3-chlorophenoxy)-N-[(3-methoxyphenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1)OC)Oc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H17ClN2O3/c1-12(23-16-8-4-6-14(18)10-16)17(21)20-19-11-13-5-3-7-15(9-13)22-2/h3-12H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,15,10,19,9,20,11,18,13,22,7,2,8,21,12,17,3,23,6,5,4,14,16/rA:23cCCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s2;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.7676 |
Area: | 556.162 |
Solvation: | -6.13645 |
Coulombic: | -34.3677 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 332.781 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.74 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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