Chemical ID: 5305145

CCn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
Chemical ID:
5305145
Name [?]:
None
SMILES [?]:
CCn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
InChi [?]:
InChI=1/C16H12ClN3/c1-2-20-14-8-7-10(17)9-11(14)15-16(20)19-13-6-4-3-5-12(13)18-15/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,14,6,5,8,7,9,18,13,4,10,11,20,19,12,3/rA:20nCCNCCCCCCCCNCCCCCCNCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClN3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.0541
Area:456.828
Solvation:-1.36656
Coulombic:-20.715
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:281.739
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.12
LogP (Chemaxon):4.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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