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Chemical ID: 4580543
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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