Chemical ID: 4580543

c1ccc(cc1)CCN2Cc3c(ccc4c3oc(=O)c5c4cccc5)OC2
Chemical ID:
4580543
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCN2Cc3c(ccc4c3oc(=O)c5c4cccc5)OC2
InChi [?]:
InChI=1/C23H19NO3/c25-23-19-9-5-4-8-17(19)18-10-11-21-20(22(18)27-23)14-24(15-26-21)13-12-16-6-2-1-3-7-16/h1-11H,12-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,24,3,5,22,25,14,13,7,8,10,27,4,21,15,20,11,12,16,18,9,19,26,17/E:(2,3)(6,7)/rA:27cCCCCCCCCNCCCCCCCOCOCCCCCCOC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;s15s20;d21;s22;d23;d20s24;s12;s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.4727
Area:558.619
Solvation:-3.4928
Coulombic:-34.791
Bond Count [?]
All:31
Single:21
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:357.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.9
LogP (Chemaxon):4.97

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Descriptor Annotations

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