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Chemical ID: 4757060
Chemical ID:
4757060
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3cccn3C(N2)c4ccc5c(c4)CCO5
InChi [?]:
InChI=1/C19H16N2O/c1-2-5-16-15(4-1)17-6-3-10-21(17)19(20-16)14-7-8-18-13(12-14)9-11-22-18/h1-8,10,12,19-20H,9,11H2
InChi Info:
AuxInfo=1/0/N:1,2,9,6,3,8,15,16,20,10,21,19,18,14,5,4,7,17,12,13,11,22/rA:22cCCCCCCCCCCNCNCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4s12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.75755 |
Area: | 465.811 |
Solvation: | -2.88773 |
Coulombic: | -26.6143 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 288.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.22 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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