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Chemical ID: 5017014
Chemical ID:
5017014
Name [?]:
None
SMILES [?]:
Cc1cccc(c1C)C2c3c(c4ccccc4[nH]3)CCN2
InChi [?]:
InChI=1/C19H20N2/c1-12-6-5-8-14(13(12)2)18-19-16(10-11-20-18)15-7-3-4-9-17(15)21-19/h3-9,18,20-21H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,14,15,4,3,13,5,16,19,20,2,7,6,12,11,17,9,10,21,18/rA:21cCCCCCCCCCCCCCCCCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.71777 |
Area: | 453.874 |
Solvation: | -1.62908 |
Coulombic: | -22.0867 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 276.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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