Chemical ID: 6457729

Cc1ccccc1N2Cc3ccccc3C2
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

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Descriptor Annotations

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