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Chemical ID: 7244515

Chemical ID:

7244515

Name [?]:

4-methyl-8-phenyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine

SMILES [?]:

Cc1ccc2nc(c(n2c1)N)c3ccccc3

InChi [?]:

InChI=1/C14H13N3/c1-10-7-8-12-16-13(14(15)17(12)9-10)11-5-3-2-4-6-11/h2-9H,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,14,16,13,17,3,4,10,2,12,5,7,8,11,6,9/E:(3,4)(5,6)/rA:17nCCCCCNCCNCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s7;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃N₃
All Atoms:	30
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.42812
Area:	399.55
Solvation:	-1.56063
Coulombic:	-30.275

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	223.273
H-Bond Donors:	2
H-Bond Acceptors:	1
XLogP:	2.76
LogP (Chemaxon):	3.05

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value