Chemical ID: 3967292

CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC1
Chemical ID:
3967292
Name [?]:
None
SMILES [?]:
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC1
InChi [?]:
InChI=1/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,24,18,17,13,12,8,26,22,7,27,15,9,19,16,14,11,10,20,4,25,21,6,5,3/E:(9,10)(12,13)/rA:27nCCOCONCCCCCCCCCCCCCCNCCCClCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s10s19;d20;s21;d22;d19s23;s14;s9;s6s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23ClN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0946
Area:582.176
Solvation:-2.45979
Coulombic:-36.2387
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:382.883
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.82
LogP (Chemaxon):4.44

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Descriptor Annotations

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