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Chemical ID: 7287520

Chemical ID:

7287520

Name [?]:

9-[(5-phenyltetrazol-2-yl)methyl]-7,8,9-triazabicyclo[4.4.0]deca-2,4,7,11-tetraen-10-one

SMILES [?]:

c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3

InChi [?]:

InChI=1/C15H11N7O/c23-15-12-8-4-5-9-13(12)16-19-21(15)10-22-18-14(17-20-22)11-6-2-1-3-7-11/h1-9H,10H2

InChi Info:

AuxInfo=1/0/N:1,2,6,18,19,3,5,17,20,12,4,16,21,7,14,22,8,11,23,9,13,10,15/E:(2,3)(6,7)/rA:23nCCCCCCCNNNNCNCOCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁N₇O
All Atoms:	34
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.91712
Area:	496.29
Solvation:	-2.49013
Coulombic:	-22.9713

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	305.294
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	3.0
LogP (Chemaxon):	2.33

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value