Chemical ID: 4910719

CC1=CC(=O)N2Cc3cc(ccc3N=C2N1)Cl
Chemical ID:
4910719
Name [?]:
None
SMILES [?]:
CC1=CC(=O)N2Cc3cc(ccc3N=C2N1)Cl
InChi [?]:
InChI=1/C12H10ClN3O/c1-7-4-11(17)16-6-8-5-9(13)2-3-10(8)15-12(16)14-7/h2-5H,6H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,11,12,3,9,7,2,8,10,13,4,15,17,16,14,6,5/rA:17nCCCCONCCCCCCCNCNCl/rB:s1;d2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s6d14;s2s15;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClN3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.15728
Area:406.861
Solvation:-2.01426
Coulombic:-33.5869
Bond Count [?]
All:19
Single:13
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:247.68
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.11
LogP (Chemaxon):2.08

Name Annotations

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Descriptor Annotations

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