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Chemical ID: 6466621
Chemical ID:
6466621
Name [?]:
8,10-dimethyl-3,5-diphenyl-9-azabicyclo[5.3.0]deca-2,5,7,10-tetraen-4-one
SMILES [?]:
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H19NO/c1-15-19-13-21(17-9-5-3-6-10-17)23(25)22(14-20(19)16(2)24-15)18-11-7-4-8-12-18/h3-14,24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,23,17,22,24,16,18,21,25,15,19,4,9,2,11,20,14,3,10,5,8,6,12,7/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:25nCCCCCCOCCCCNCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s6;d8;s3s9;d10;s2s11;s11;s8;s14;d15;s16;d17;d14s18;s5;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19NO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9851 |
Area: | 531.076 |
Solvation: | -2.2918 |
Coulombic: | -22.656 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 325.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.92 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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