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Chemical ID: 7712116
Chemical ID:
7712116
Name [?]:
None
SMILES [?]:
CC1N(C2c3cccc4c3c(ccc4)C2O1)c5ccccc5
InChi [?]:
InChI=1/C20H17NO/c1-13-21(15-9-3-2-4-10-15)19-16-11-5-7-14-8-6-12-17(18(14)16)20(19)22-13/h2-13,19-20H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,7,13,8,14,18,22,6,12,2,9,17,5,11,10,4,15,3,16/E:(3,4)(9,10)/rA:22cCCNCCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s12;s9d13;s4s11;s2s15;s3;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.54507 |
Area: | 454.34 |
Solvation: | -2.81344 |
Coulombic: | -18.3278 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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