Chemical ID: 4775066

c1cc(cc(c1)Cl)Nc2ncnc(n2)N
Chemical ID:
4775066
Name [?]:
N'-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILES [?]:
c1cc(cc(c1)Cl)Nc2ncnc(n2)N
InChi [?]:
InChI=1/C9H8ClN5/c10-6-2-1-3-7(4-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,6,2,4,11,5,3,13,9,7,15,12,10,8,14/rA:15nCCCCCCClNCNCNCNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8ClN5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.25192
Area:388.128
Solvation:-1.45129
Coulombic:-46.8885
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:221.646
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:1.37
LogP (Chemaxon):1.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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