Chemical ID: 7410902

Cc1cn2c3c(nc2o1)n(c(=O)n(c3=O)Cc4ccccc4Cl)C
Chemical ID:
7410902
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(nc2o1)n(c(=O)n(c3=O)Cc4ccccc4Cl)C
InChi [?]:
InChI=1/C16H13ClN4O3/c1-9-7-20-12-13(18-15(20)24-9)19(2)16(23)21(14(12)22)8-10-5-3-4-6-11(10)17/h3-7H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,20,18,21,3,16,2,17,22,5,6,14,8,11,23,7,10,4,13,15,12,9/rA:24nCCCNCCNCONCONCOCCCCCCCClC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s6;s10;d11;s11;s5s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN4O3
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.70361
Area:492.614
Solvation:-2.61175
Coulombic:-57.6551
Bond Count [?]
All:27
Single:19
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:344.752
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.55
LogP (Chemaxon):3.25

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Descriptor Annotations

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