Chemical ID: 4841981

CC(C)Cn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
Chemical ID:
4841981
Name [?]:
None
SMILES [?]:
CC(C)Cn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
InChi [?]:
InChI=1/C18H16ClN3/c1-11(2)10-22-16-8-7-12(19)9-13(16)17-18(22)21-15-6-4-3-5-14(15)20-17/h3-9,11H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,17,19,16,8,7,10,4,2,9,11,20,15,6,12,13,22,21,14,5/E:(1,2)/rA:22nCCCCNCCCCCCCCNCCCCCCNCl/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.0262
Area:493.967
Solvation:-1.32299
Coulombic:-21.4293
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:309.793
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.78
LogP (Chemaxon):5.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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