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Chemical ID: 4666697
Chemical ID:
4666697
Name [?]:
None
SMILES [?]:
CCc1cc(c2c(c1)c3c([nH]2)-c4ccccc4CC3)CC
InChi [?]:
InChI=1/C20H21N/c1-3-13-11-14(4-2)19-18(12-13)17-10-9-15-7-5-6-8-16(15)20(17)21-19/h5-8,11-12,21H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,20,15,14,16,13,18,19,4,8,3,5,17,12,9,7,6,10,11/rA:21nCCCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;s12;d13;s14;d15;d12s16;s17;s9s18;s5;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6187 |
Area: | 472.468 |
Solvation: | -1.193 |
Coulombic: | -14.0871 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.75 |
LogP (Chemaxon): | 6.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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