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Chemical ID: 6421758
Chemical ID:
6421758
Name [?]:
N-phenyl-4H-quinolizin-2-amine
SMILES [?]:
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
InChi [?]:
InChI=1/C15H14N2/c1-2-6-13(7-3-1)16-14-9-11-17-10-5-4-8-15(17)12-14/h1-10,12,16H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,13,3,5,15,9,12,10,17,4,8,16,7,11/E:(2,3)(6,7)/rA:17nCCCCCCNCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;s11;d12;s13;d14;s11s15;s8d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40908 |
Area: | 404.036 |
Solvation: | -1.69183 |
Coulombic: | -18.5261 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 222.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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