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Chemical ID: 4233273
Chemical ID:
4233273
Name [?]:
None
SMILES [?]:
CC1(Cc2ccccc2-c3c1c(=O)oc(n3)c4ccccc4)C
InChi [?]:
InChI=1/C20H17NO2/c1-20(2)12-14-10-6-7-11-15(14)17-16(20)19(22)23-18(21-17)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,20,19,21,6,7,18,22,5,8,3,17,4,9,11,10,15,12,2,16,13,14/E:(1,2)(4,5)(8,9)/rA:23nCCCCCCCCCCCCOOCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2d10;s11;d12;s12;s14;s10d15;s15;s17;d18;s19;d20;d17s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4223 |
Area: | 478.442 |
Solvation: | -1.53871 |
Coulombic: | -29.0445 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 303.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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