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Chemical ID: 4968116
Chemical ID:
4968116
Name [?]:
1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILES [?]:
c1ccc(cc1)C2c3ccccc3CCN2
InChi [?]:
InChI=1/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,12,3,5,9,14,15,13,4,8,7,16/E:(2,3)(7,8)/rA:16cCCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;s7s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.21565 |
Area: | 377.686 |
Solvation: | -1.22649 |
Coulombic: | -12.1558 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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