Chemical ID: 6521981

CC1=NNC2=Nc3ccccc3C(N12)c4ccccc4
Chemical ID:
6521981
Name [?]:
None
SMILES [?]:
CC1=NNC2=Nc3ccccc3C(N12)c4ccccc4
InChi [?]:
InChI=1/C16H14N4/c1-11-18-19-16-17-14-10-6-5-9-13(14)15(20(11)16)12-7-3-2-4-8-12/h2-10,15H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,10,9,16,20,11,8,2,15,12,7,13,5,6,3,4,14/E:(3,4)(7,8)/rA:20cCCNNCNCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;s2s5s13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.65272
Area:424.394
Solvation:-1.95714
Coulombic:-25.6035
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:262.309
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):4.52

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Descriptor Annotations

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