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Chemical ID: 6673154
Chemical ID:
6673154
Name [?]:
1-(4-phenylphenyl)isoquinoline
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3c4ccccc4ccn3
InChi [?]:
InChI=1/C21H15N/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-20-9-5-4-8-18(20)14-15-22-21/h1-15H
InChi Info:
AuxInfo=1/0/N:1,2,6,17,16,3,5,18,15,8,12,9,11,20,21,4,7,19,10,14,13,22/E:(2,3)(6,7)(10,11)(12,13)/rA:22nCCCCCCCCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15N |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1863 |
Area: | 478.194 |
Solvation: | -1.76853 |
Coulombic: | -9.87684 |
Bond Count [?]
All: | 25 |
Single: | 14 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.351 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.0 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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