Chemical ID: 5852850

Cc1c(c2cc(c3ccccc3c2n1Cc4ccccc4)O)C(=O)OC
Chemical ID:
5852850
Name [?]:
None
SMILES [?]:
Cc1c(c2cc(c3ccccc3c2n1Cc4ccccc4)O)C(=O)OC
InChi [?]:
InChI=1/C22H19NO3/c1-14-20(22(25)26-2)18-12-19(24)16-10-6-7-11-17(16)21(18)23(14)13-15-8-4-3-5-9-15/h3-12,24H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,19,18,20,9,10,17,21,8,11,5,15,2,16,7,12,4,6,3,13,23,14,22,24,25/E:(4,5)(8,9)/rA:26nCCCCCCCCCCCCCNCCCCCCCOCOOC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s2s13;s14;s15;s16;d17;s18;d19;d16s20;s6;s3;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1217
Area:531.383
Solvation:-3.16283
Coulombic:-44.0452
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:345.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.14
LogP (Chemaxon):4.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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