Chemical ID: 4691957

COC(=O)c1c2n(c(c1C(=O)OC)c3ccc(c(c3)Cl)Cl)CCC2
Chemical ID:
4691957
Name [?]:
dimethyl 3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
SMILES [?]:
COC(=O)c1c2n(c(c1C(=O)OC)c3ccc(c(c3)Cl)Cl)CCC2
InChi [?]:
InChI=1/C17H15Cl2NO4/c1-23-16(21)13-12-4-3-7-20(12)15(14(13)17(22)24-2)9-5-6-10(18)11(19)8-9/h5-6,8H,3-4,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,23,24,15,16,22,19,14,17,18,6,5,9,8,3,10,21,20,7,4,11,2,12/rA:24nCOCOCCNCCCOOCCCCCCCClClCCC/rB:s1;s2;d3;s3;d5;s6;s7;s5d8;s9;d10;s10;s12;s8;s14;d15;s16;d17;d14s18;s18;s17;s7;s22;s6s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15Cl2NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9329
Area:556.129
Solvation:-2.97036
Coulombic:-45.2554
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.211
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.24
LogP (Chemaxon):2.88

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Descriptor Annotations

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