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Chemical ID: 7741695
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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