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Chemical ID: 4666687
Chemical ID:
4666687
Name [?]:
None
SMILES [?]:
CCCCc1ccc2c(c1)c3c([nH]2)-c4ccccc4CC3
InChi [?]:
InChI=1/C20H21N/c1-2-3-6-14-9-12-19-18(13-14)17-11-10-15-7-4-5-8-16(15)20(17)21-19/h4-5,7-9,12-13,21H,2-3,6,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,16,4,18,15,6,20,21,7,10,5,19,14,11,9,8,12,13/rA:21nCCCCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s8s12;s12;s14;d15;s16;d17;d14s18;s19;s11s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8942 |
Area: | 483.806 |
Solvation: | -1.20092 |
Coulombic: | -14.4605 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.2 |
LogP (Chemaxon): | 5.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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