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Chemical ID: 4517897
Chemical ID:
4517897
Name [?]:
2-chloro-N-(2-oxoindolin-3-ylidene)amino-benzamide
SMILES [?]:
c1ccc2c(c1)C(=NNC(=O)c3ccccc3Cl)C(=O)N2
InChi [?]:
InChI=1/C15H10ClN3O2/c16-11-7-3-1-5-9(11)14(20)19-18-13-10-6-2-4-8-12(10)17-15(13)21/h1-8H,(H,19,20)(H,17,18,21)
InChi Info:
AuxInfo=1/1/N:14,1,15,2,13,6,16,3,12,5,17,4,7,10,19,18,21,8,9,11,20/rA:21nCCCCCCCNNCOCCCCCCClCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s7;d19;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClN3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.69133 |
Area: | 476.196 |
Solvation: | -4.21356 |
Coulombic: | -42.0608 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 299.712 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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