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Chemical ID: 5169738
Chemical ID:
5169738
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cc3c(n2)-c4cccc5c4N(C3)CCC5
InChi [?]:
InChI=1/C19H16N2/c1-2-9-17-14(5-1)11-15-12-21-10-4-7-13-6-3-8-16(19(13)21)18(15)20-17/h1-3,5-6,8-9,11H,4,7,10,12H2
InChi Info:
AuxInfo=1/0/N:1,2,13,20,6,14,21,12,3,19,7,18,15,5,8,11,4,9,16,10,17/rA:21cCCCCCCCCCNCCCCCCNCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s16;s8s17;s17;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.90347 |
Area: | 433.13 |
Solvation: | -1.92479 |
Coulombic: | -14.0148 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 272.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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