Chemical ID: 6670531

c1cc(ccc1N2C3=CCCCC3=C(C2=O)O)Cl
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

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Descriptor Annotations

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