Chemical ID: 4910307

c1ccc2c(c1)C(N3c4ccccc4C(=O)C3=N2)O
Chemical ID:
4910307
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(N3c4ccccc4C(=O)C3=N2)O
InChi [?]:
InChI=1/C15H10N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,15,19H
InChi Info:
AuxInfo=1/0/N:1,12,2,11,6,13,3,10,5,14,4,9,15,17,7,18,8,16,19/rA:19cCCCCCCCNCCCCCCCOCNO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s15;s4d17;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.05969
Area:409.884
Solvation:-3.18741
Coulombic:-40.3345
Bond Count [?]
All:22
Single:14
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:250.252
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.41
LogP (Chemaxon):3.95

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Descriptor Annotations

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