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Chemical ID: 6574366
Chemical ID:
6574366
Name [?]:
2-(4-isopropylphenyl)isoindolin-1-imine
SMILES [?]:
CC(C)c1ccc(cc1)N2Cc3ccccc3C2=N
InChi [?]:
InChI=1/C17H18N2/c1-12(2)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)17(19)18/h3-10,12,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,13,16,5,9,6,8,11,2,4,12,7,17,18,19,10/E:(1,2)(7,8)(9,10)/rA:19nCCCCCCCCCNCCCCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s10s17;w18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33488 |
Area: | 444.097 |
Solvation: | -1.76756 |
Coulombic: | -20.8403 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.44 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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