Chemical ID: 7741711

c1ccc(cc1)C=CC(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
Chemical ID:
7741711
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C=CC(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C22H21NO3/c24-19-16-22(26-20-9-5-4-8-18(19)20)12-14-23(15-13-22)21(25)11-10-17-6-2-1-3-7-17/h1-11H,12-16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,3,5,21,24,7,8,13,15,12,16,17,4,20,18,25,9,14,11,19,10,26/E:(2,3)(6,7)(12,13)(14,15)/rA:26nCCCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO3
All Atoms:47
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.38103
Area:532.729
Solvation:-3.93719
Coulombic:-34.0031
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.57
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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