Chemical ID: 5787863

CCc1c(nc2n1cccc2N)c3ccccc3
Chemical ID:
5787863
Name [?]:
7-ethyl-8-phenyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-2-amine
SMILES [?]:
CCc1c(nc2n1cccc2N)c3ccccc3
InChi [?]:
InChI=1/C15H15N3/c1-2-13-14(11-7-4-3-5-8-11)17-15-12(16)9-6-10-18(13)15/h3-10H,2,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,9,14,18,10,8,13,11,3,4,6,12,5,7/E:(4,5)(7,8)/rA:18nCCCCNCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s7;d8;s9;s6d10;s11;s4;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.82039
Area:420.542
Solvation:-1.69315
Coulombic:-30.4037
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.3
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.94
LogP (Chemaxon):3.12

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Descriptor Annotations

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