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Chemical ID: 6414471
Chemical ID:
6414471
Name [?]:
4-chloro-N-[(3-hydroxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1cc(cc(c1)O)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H14ClN3O3/c17-13-6-4-12(5-7-13)16(23)18-10-15(22)20-19-9-11-2-1-3-14(21)8-11/h1-9,21H,10H2,(H,18,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,4,8,13,3,17,20,5,11,15,23,14,9,10,7,12,16/E:(4,5)(6,7)/rA:23nCCCCCCOCNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClN3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.078 |
Area: | 556.934 |
Solvation: | -4.84534 |
Coulombic: | -57.1267 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.753 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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