Chemical ID: 6916476

c1cc2ccc3ccc(nc3c2nc1)CC(C(=O)O)N
Chemical ID:
6916476
Name [?]:
None
SMILES [?]:
c1cc2ccc3ccc(nc3c2nc1)CC(C(=O)O)N
InChi [?]:
InChI=1/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,7,8,14,15,3,6,9,16,12,11,17,20,13,10,18,19/E:(19,20)/rA:20cCCCCCCCCCNCCNCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;d6s10;s3s11;d12;d1s13;s9;s15;s16;d17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O2
All Atoms:33
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.80554
Area:451.47
Solvation:-3.4812
Coulombic:-49.3774
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.283
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.08
LogP (Chemaxon):-0.88

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Descriptor Annotations

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