Chemical ID: 5702148

CC[NH+]1Cc2ccccc2C1
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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