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Chemical ID: 6457729
Chemical ID:
6457729
Name [?]:
2-(o-tolyl)isoindoline
SMILES [?]:
Cc1ccccc1N2Cc3ccccc3C2
InChi [?]:
InChI=1/C15H15N/c1-12-6-2-5-9-15(12)16-10-13-7-3-4-8-14(13)11-16/h2-9H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,12,13,5,3,11,14,6,9,16,2,10,15,7,8/E:(3,4)(7,8)(10,11)(13,14)/rA:16nCCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.925 |
Area: | 377.426 |
Solvation: | -1.51066 |
Coulombic: | -9.00002 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.85 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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