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Chemical ID: 6491564
Chemical ID:
6491564
Name [?]:
9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILES [?]:
c1ccc(cc1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4
InChi [?]:
InChI=1/C19H19NO2/c21-15-10-4-8-13-18(15)17(12-6-2-1-3-7-12)19-14(20-13)9-5-11-16(19)22/h1-3,6-7,17,20H,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,21,3,5,10,22,12,20,4,9,16,13,18,7,8,17,15,14,19/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)(18,19)(21,22)/rA:22nCCCCCCCCCCCCCONCCCOCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;s11;s8s12;d13;s9;s15;s7d16;s17;d18;s18;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43304 |
Area: | 438.849 |
Solvation: | -3.53818 |
Coulombic: | -25.2584 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 293.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.91 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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