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Chemical ID: 5326276
Chemical ID:
5326276
Name [?]:
4-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILES [?]:
c1ccc(cc1)C2CNCc3c2cccc3
InChi [?]:
InChI=1/C15H15N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-9,15-16H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,13,10,8,4,11,12,7,9/E:(2,3)(6,7)/rA:16cCCCCCCCCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.19338 |
Area: | 378.009 |
Solvation: | -1.25684 |
Coulombic: | -12.1303 |
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: | 2.87 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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