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Chemical ID: 5590281
Chemical ID:
5590281
Name [?]:
2-(4-chlorobenzoyl)amino-N-[(2-hydroxyphenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)c2ccccc2NC(=O)c3ccc(cc3)Cl)O
InChi [?]:
InChI=1/C21H16ClN3O3/c22-16-11-9-14(10-12-16)20(27)24-18-7-3-2-6-17(18)21(28)25-23-13-15-5-1-4-8-19(15)26/h1-13,26H,(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,6,13,16,3,22,26,23,25,7,21,5,24,12,17,4,19,10,27,8,18,9,28,20,11/E:(9,10)(11,12)/rA:28nCCCCCCCNNCOCCCCCCNCOCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16ClN3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9617 |
Area: | 605.862 |
Solvation: | -4.18481 |
Coulombic: | -59.6271 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 393.823 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 5.19 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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