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Chemical ID: 6677225
Chemical ID:
6677225
Name [?]:
3,4-dichloro-N-[(2-hydroxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccc(c(c2)Cl)Cl)O
InChi [?]:
InChI=1/C16H13Cl2N3O3/c17-12-6-5-10(7-13(12)18)16(24)19-9-15(23)21-20-8-11-3-1-2-4-14(11)22/h1-8,22H,9H2,(H,19,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,18,21,7,12,16,5,19,20,4,10,14,23,22,13,8,9,24,11,15/rA:24nCCCCCCCNNCOCNCOCCCCCCClClO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78662 |
Area: | 582.14 |
Solvation: | -4.76689 |
Coulombic: | -57.3945 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.198 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.0 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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