Chemical ID: 5461058

Cc1cccc2c1N(C(=O)C2=O)CCCOc3ccccc3Cl
Chemical ID:
5461058
Name [?]:
1-[3-(2-chlorophenoxy)propyl]-7-methyl-indoline-2,3-dione
SMILES [?]:
Cc1cccc2c1N(C(=O)C2=O)CCCOc3ccccc3Cl
InChi [?]:
InChI=1/C18H16ClNO3/c1-12-6-4-7-13-16(12)20(18(22)17(13)21)10-5-11-23-15-9-3-2-8-14(15)19/h2-4,6-9H,5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,4,14,3,5,21,18,13,15,2,6,22,17,7,11,9,23,8,12,10,16/rA:23nCCCCCCCNCOCOCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s9;d11;s8;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.44546
Area:530.955
Solvation:-3.82841
Coulombic:-36.534
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.777
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.66
LogP (Chemaxon):3.54

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Descriptor Annotations

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