Chemical ID: 4968116

c1ccc(cc1)C2c3ccccc3CCN2
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

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Descriptor Annotations

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