Chemical ID: 6126399

c1ccc2c(c1)CCN2C(=O)CC#N
Chemical ID:
6126399
Name [?]:
3-indolin-1-yl-3-oxo-propanenitrile
SMILES [?]:
c1ccc2c(c1)CCN2C(=O)CC#N
InChi [?]:
InChI=1/C11H10N2O/c12-7-5-11(14)13-8-6-9-3-1-2-4-10(9)13/h1-4H,5-6,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,7,13,8,5,4,10,14,9,11/rA:14nCCCCCCCCNCOCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.00968
Area:357.332
Solvation:-2.92362
Coulombic:-16.9348
Bond Count [?]
All:15
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:186.21
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.16
LogP (Chemaxon):1.32

Name Annotations

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Descriptor Annotations

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