Chemical ID: 6592013

CCCCN1c2ccccc2C(=C(C#N)C(=O)N)C1=O
Chemical ID:
6592013
Name [?]:
2-(1-butyl-2-oxo-indolin-3-ylidene)-3-nitrido-propanamide
SMILES [?]:
CCCCN1c2ccccc2C(=C(C#N)C(=O)N)C1=O
InChi [?]:
InChI=1/C15H15N3O2/c1-2-3-8-18-12-7-5-4-6-10(12)13(15(18)20)11(9-16)14(17)19/h4-7H,2-3,8H2,1H3,(H2,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,10,7,4,14,11,13,6,12,16,19,15,18,5,17,20/rA:20nCCCCNCCCCCCCCCNCONCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;t14;s13;d16;s16;s5s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.26933
Area:461.543
Solvation:-3.26924
Coulombic:-44.6215
Bond Count [?]
All:21
Single:14
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:269.299
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.76
LogP (Chemaxon):0.99

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