Chemical ID: 6441079

Cc1cccn2c1nc(c2)c3ccc(c(c3)Cl)Cl
Chemical ID:
6441079
Name [?]:
8-(3,4-dichlorophenyl)-5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1cccn2c1nc(c2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2N2/c1-9-3-2-6-18-8-13(17-14(9)18)10-4-5-11(15)12(16)7-10/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,12,13,5,16,10,2,11,14,15,9,7,18,17,8,6/rA:18nCCCCCNCNCCCCCCCCClCl/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s9;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2N2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.55662
Area:448.06
Solvation:-1.64488
Coulombic:-13.2073
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:277.148
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.33
LogP (Chemaxon):4.93

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Descriptor Annotations

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