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Chemical ID: 5702148
Chemical ID:
5702148
Name [?]:
2-ethyl-1,3-dihydroisoindole
SMILES [?]:
CC[NH+]1Cc2ccccc2C1
InChi [?]:
InChI=1/C10H13N/c1-2-11-7-9-5-3-4-6-10(9)8-11/h3-6H,2,7-8H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,7,8,6,9,4,11,5,10,3/E:(3,4)(5,6)(7,8)(9,10)/rA:11nCCN+CCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.5104 |
Area: | 310.196 |
Solvation: | -30.2653 |
Coulombic: | 28.0529 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 148.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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