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Chemical ID: 5327361
Chemical ID:
5327361
Name [?]:
(2-methyl-1-propyl-indol-3-yl)-(1-naphthyl)methanone
SMILES [?]:
CCCn1c(c(c2c1cccc2)C(=O)c3cccc4c3cccc4)C
InChi [?]:
InChI=1/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,23,22,11,10,17,24,18,21,12,16,9,3,5,19,20,15,7,8,6,13,4,14/rA:25nCCCNCCCCCCCCCOCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s4s7;d8;s9;d10;d7s11;s6;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5105 |
Area: | 537.208 |
Solvation: | -1.91973 |
Coulombic: | -18.6143 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.23 |
LogP (Chemaxon): | 5.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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