Chemical ID: 4685684

c1ccc(cc1)C2(CCn3c4c2cccc4nn3)O
Chemical ID:
4685684
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2(CCn3c4c2cccc4nn3)O
InChi [?]:
InChI=1/C15H13N3O/c19-15(11-5-2-1-3-6-11)9-10-18-14-12(15)7-4-8-13(14)16-17-18/h1-8,19H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,8,9,4,12,16,11,7,17,18,10,19/E:(2,3)(5,6)/rA:19cCCCCCCCCCNCCCCCCNNO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;d12;s13;d14;d11s15;s16;s10d17;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.41815
Area:405.332
Solvation:-2.71516
Coulombic:-23.6051
Bond Count [?]
All:22
Single:15
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:251.283
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.95
LogP (Chemaxon):2.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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