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Chemical ID: 5168808
Chemical ID:
5168808
Name [?]:
2-methyl-1,3-bis(2-naphthyl)propan-1-one
SMILES [?]:
CC(Cc1ccc2ccccc2c1)C(=O)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C24H20O/c1-17(14-18-10-11-19-6-2-4-8-21(19)15-18)24(25)23-13-12-20-7-3-5-9-22(20)16-23/h2-13,15-17H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,21,10,22,8,20,11,23,5,6,18,17,3,13,25,2,4,7,19,12,24,16,14,15/rA:25cCCCCCCCCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s2;d14;s14;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2204 |
Area: | 538.587 |
Solvation: | -2.24429 |
Coulombic: | -13.0531 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.415 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.38 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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