Chemical ID: 4233273

CC1(Cc2ccccc2-c3c1c(=O)oc(n3)c4ccccc4)C
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

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Experimental Annotations

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Descriptor Annotations

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