Chemical ID: 7741695

COc1ccc(cc1C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3)Cl
Chemical ID:
7741695
Name [?]:
None
SMILES [?]:
COc1ccc(cc1C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3)Cl
InChi [?]:
InChI=1/C21H20ClNO4/c1-26-18-7-6-14(22)12-16(18)20(25)23-10-8-21(9-11-23)13-17(24)15-4-2-3-5-19(15)27-21/h2-7,12H,8-11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,23,21,24,5,4,13,15,12,16,7,17,6,20,8,18,3,25,9,14,27,11,19,10,2,26/E:(8,9)(10,11)/rA:27nCOCCCCCCCONCCCCCCCOCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s14s25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClNO4
All Atoms:47
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:8.9611
Area:565.132
Solvation:-5.16719
Coulombic:-40.2153
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.83
LogP (Chemaxon):None

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Descriptor Annotations

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