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Chemical ID: 4643355
Chemical ID:
4643355
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cnc2c3ccccc3ccc2c1NCc4ccccc4
InChi [?]:
InChI=1/C23H20N2O2/c1-2-27-23(26)20-15-25-21-18-11-7-6-10-17(18)12-13-19(21)22(20)24-14-16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,13,12,23,27,14,11,16,17,21,7,22,15,10,18,6,9,19,4,20,8,5,3/E:(4,5)(8,9)/rA:27nCCOCOCCNCCCCCCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;d6s18;s19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3442 |
Area: | 567.474 |
Solvation: | -2.84269 |
Coulombic: | -39.1128 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.53 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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