Chemical ID: 5107896

CCOC(=O)c1ccc2c3c([nH]c2c1C)-c4ccccc4CC3
Chemical ID:
5107896
Name [?]:
None
SMILES [?]:
CCOC(=O)c1ccc2c3c([nH]c2c1C)-c4ccccc4CC3
InChi [?]:
InChI=1/C20H19NO2/c1-3-23-20(22)14-10-11-16-17-9-8-13-6-4-5-7-15(13)19(17)21-18(16)12(14)2/h4-7,10-11,21H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,19,18,20,17,22,23,7,8,14,21,6,16,9,10,13,11,4,12,5,3/rA:23nCCOCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d9s12;d6s13;s14;s11;s16;d17;s18;d19;d16s20;s21;s10s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.683
Area:502.865
Solvation:-1.88865
Coulombic:-32.8573
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.37
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.74
LogP (Chemaxon):4.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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