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Chemical ID: 5108935
Chemical ID:
5108935
Name [?]:
None
SMILES [?]:
Cc1ccc(c2c1c3c(c4cnccc4c(c3[nH]2)C)C)C
InChi [?]:
InChI=1/C19H18N2/c1-10-5-6-11(2)18-16(10)17-12(3)15-9-20-8-7-14(15)13(4)19(17)21-18/h5-9,21H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,20,19,3,4,14,13,11,2,5,9,16,15,10,7,8,6,17,12,18/rA:21nCCCCCCCCCCCNCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;d8s16;s6s17;s16;s9;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34015 |
Area: | 443.762 |
Solvation: | -1.75389 |
Coulombic: | -16.6143 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 274.36 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.87 |
LogP (Chemaxon): | 5.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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