Chemical ID: 6491564

c1ccc(cc1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4
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

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Descriptor Annotations

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