Chemical ID: 7741735

c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl
Chemical ID:
7741735
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H20ClNO3/c22-16-7-5-15(6-8-16)13-20(25)23-11-9-21(10-12-23)14-18(24)17-3-1-2-4-19(17)26-21/h1-8H,9-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,25,22,24,12,16,13,15,19,9,20,23,5,7,4,17,10,26,14,8,18,11/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCOCCOCCNCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;s10;s12;s13;s14;s10s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClNO3
All Atoms:46
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.0656
Area:561.824
Solvation:-3.97998
Coulombic:-32.8894
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.73
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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