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Chemical ID: 7741711
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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Experimental Annotations
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Descriptor Annotations
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