Chemical ID: 6673153

Cc1ccc(cc1)c2c3ccccc3ccn2
Chemical ID:
6673153
Name [?]:
1-(p-tolyl)isoquinoline
SMILES [?]:
Cc1ccc(cc1)c2c3ccccc3ccn2
InChi [?]:
InChI=1/C16H13N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,3,7,4,6,15,16,2,14,5,9,8,17/E:(6,7)(8,9)/rA:17nCCCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.51303
Area:397.262
Solvation:-1.41853
Coulombic:-8.21541
Bond Count [?]
All:19
Single:11
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:219.281
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.5
LogP (Chemaxon):4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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