Chemical ID: 4919783

CC1=Nc2ccccc2NC(C1)c3ccoc3
Chemical ID:
4919783
Name [?]:
5-(3-furyl)-3-methyl-2,6-diazabicyclo[5.4.0]undeca-2,8,10,12-tetraene
SMILES [?]:
CC1=Nc2ccccc2NC(C1)c3ccoc3
InChi [?]:
InChI=1/C14H14N2O/c1-10-8-14(11-6-7-17-9-11)16-13-5-3-2-4-12(13)15-10/h2-7,9,14,16H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,14,15,12,17,2,13,4,9,11,3,10,16/rA:17cCCNCCCCCCNCCCCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s10;s2s11;s11;s13;d14;s15;d13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.44376
Area:402.319
Solvation:-2.61422
Coulombic:-23.5451
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:226.274
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.53
LogP (Chemaxon):3.4

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