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Chemical ID: 6166537
Chemical ID:
6166537
Name [?]:
2-phenylisoindoline
SMILES [?]:
c1ccc(cc1)N2Cc3ccccc3C2
InChi [?]:
InChI=1/C14H13N/c1-2-8-14(9-3-1)15-10-12-6-4-5-7-13(12)11-15/h1-9H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,10,13,3,5,8,15,9,14,4,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:15nCCCCCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s7s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75969 |
Area: | 365.875 |
Solvation: | -1.38719 |
Coulombic: | -9.32185 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 195.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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