Chemical ID: 7741661

Cc1ccccc1C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
Chemical ID:
7741661
Name [?]:
None
SMILES [?]:
Cc1ccccc1C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C21H21NO3/c1-15-6-2-3-7-16(15)20(24)22-12-10-21(11-13-22)14-18(23)17-8-4-5-9-19(17)25-21/h2-9H,10-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,21,22,3,6,20,23,12,14,11,15,16,2,7,19,17,24,8,13,10,18,9,25/E:(10,11)(12,13)/rA:25nCCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO3
All Atoms:46
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.64973
Area:515.633
Solvation:-3.24109
Coulombic:-34.8483
Bond Count [?]
All:28
Single:20
Double:8
Rotors:2
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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Experimental Annotations

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Descriptor Annotations

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