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Chemical ID: 6551983
Chemical ID:
6551983
Name [?]:
2-chloro-N-[2-[(4-hydroxy-3-methoxy-phenyl)methyleneaminocarbamoyl]ethyl]benzamide
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)CCNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C18H18ClN3O4/c1-26-16-10-12(6-7-15(16)23)11-21-22-17(24)8-9-20-18(25)13-4-2-3-5-14(13)19/h2-7,10-11,23H,8-9H2,1H3,(H,20,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,6,7,15,16,4,10,5,20,25,8,3,13,18,26,17,11,12,9,14,19,2/rA:26nCOCCCCCCOCNNCOCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.67581 |
Area: | 607.824 |
Solvation: | -7.51979 |
Coulombic: | -61.7619 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.806 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.46 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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