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Chemical ID: 6212758
Chemical ID:
6212758
Name [?]:
N-(5-chloro-1-ethyl-2-oxo-indolin-3-ylidene)amino-2-hydroxy-benzamide
SMILES [?]:
CCN1c2ccc(cc2C(=NNC(=O)c3ccccc3O)C1=O)Cl
InChi [?]:
InChI=1/C17H14ClN3O3/c1-2-21-13-8-7-10(18)9-12(13)15(17(21)24)19-20-16(23)11-5-3-4-6-14(11)22/h3-9,22H,2H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,19,6,5,8,7,15,9,4,20,10,13,22,24,11,12,3,21,14,23/rA:24nCCNCCCCCCCNNCOCCCCCCOCOCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s3s10;d22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14ClN3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09315 |
Area: | 533.537 |
Solvation: | -5.24527 |
Coulombic: | -52.6261 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.764 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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