Chemical ID: 5633199

c1cc2c(cc1C(=O)OCC#N)nc3n(c2=O)CCCCC3
Chemical ID:
5633199
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(=O)OCC#N)nc3n(c2=O)CCCCC3
InChi [?]:
InChI=1/C16H15N3O3/c17-7-9-22-16(21)11-5-6-12-13(10-11)18-14-4-2-1-3-8-19(14)15(12)20/h5-6,10H,1-4,8-9H2
InChi Info:
AuxInfo=1/0/N:20,21,19,22,1,2,11,18,10,5,6,3,4,14,16,7,12,13,15,17,8,9/rA:22nCCCCCCCOOCCNNCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;t11;s4;d13;s14;s3s15;d16;s15;s18;s19;s20;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.29965
Area:495.803
Solvation:-3.09541
Coulombic:-44.2157
Bond Count [?]
All:24
Single:17
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:297.309
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.2
LogP (Chemaxon):1.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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