Chemical ID: 3990971

CCCCCN1c2ccccc2C(=O)C1=O
Chemical ID:
3990971
Name [?]:
1-pentylindoline-2,3-dione
SMILES [?]:
CCCCCN1c2ccccc2C(=O)C1=O
InChi [?]:
InChI=1/C13H15NO2/c1-2-3-6-9-14-11-8-5-4-7-10(11)12(15)13(14)16/h4-5,7-8H,2-3,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,10,9,4,11,8,5,12,7,13,15,6,14,16/rA:16nCCCCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s6s13;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.32905
Area:413.117
Solvation:-1.99888
Coulombic:-28.9582
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:217.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.65
LogP (Chemaxon):2.49

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Descriptor Annotations

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