Chemical ID: 4664839

CCCCN1Cc2ccccc2C1
Chemical ID:
4664839
Name [?]:
2-butylisoindoline
SMILES [?]:
CCCCN1Cc2ccccc2C1
InChi [?]:
InChI=1/C12H17N/c1-2-3-8-13-9-11-6-4-5-7-12(11)10-13/h4-7H,2-3,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,9,10,8,11,4,6,13,7,12,5/E:(4,5)(6,7)(9,10)(11,12)/rA:13nCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s5s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.01625
Area:362.412
Solvation:-1.04404
Coulombic:-7.22613
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:175.27
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.81
LogP (Chemaxon):2.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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