Chemical ID: 7382644

C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
Chemical ID:
7382644
Name [?]:
2-allylamino-4-amino-5-benzoyl-furan-3-carbonitrile
SMILES [?]:
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
InChi [?]:
InChI=1/C15H13N3O2/c1-2-8-18-15-11(9-16)12(17)14(20-15)13(19)10-6-4-3-5-7-10/h2-7,18H,1,8,17H2
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,3,19,12,6,7,10,8,5,20,18,4,11,9/E:(4,5)(6,7)/rA:20nCCCNCCCCOCOCCCCCCNCN/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s8;d10;s10;s12;d13;s14;d15;d12s16;s7;s6;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O2
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.9518
Area:475.574
Solvation:-1.93755
Coulombic:-52.7433
Bond Count [?]
All:21
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:267.283
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.04
LogP (Chemaxon):2.16

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