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Chemical ID: 6670531
Chemical ID:
6670531
Name [?]:
1-(4-chlorophenyl)-3-hydroxy-5,6-dihydro-4H-indol-2-one
SMILES [?]:
c1cc(ccc1N2C3=CCCCC3=C(C2=O)O)Cl
InChi [?]:
InChI=1/C14H12ClNO2/c15-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(17)14(16)18/h4-8,17H,1-3H2
InChi Info:
AuxInfo=1/0/N:11,10,12,9,2,4,1,5,3,6,13,8,14,15,18,7,17,16/E:(5,6)(7,8)/rA:18nCCCCCCNCCCCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s10;s11;s8s12;d13;s7s14;d15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85348 |
Area: | 431.374 |
Solvation: | -1.93086 |
Coulombic: | -35.3983 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 261.703 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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