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Chemical ID: 3967348
Chemical ID:
3967348
Name [?]:
None
SMILES [?]:
CNCCCC12CCC(c3c1cccc3)c4c2cccc4
InChi [?]:
InChI=1/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,20,13,19,4,15,21,12,18,8,5,7,3,9,10,16,11,17,6,2/E:(2,3)(4,5)(7,8)(9,10)(16,17)(18,19)/rA:21nCNCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;d11;s12;d13;d10s14;s9;s6s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3058 |
Area: | 470.252 |
Solvation: | -1.45047 |
Coulombic: | -12.562 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 277.403 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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