Chemical ID: 6852637

c1ccn2c(c1)nc(c2N=Cc3ccc(cc3)O)c4ccc(cc4)O
Chemical ID:
6852637
Name [?]:
4-[[8-(4-hydroxyphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]iminomethyl]phenol
SMILES [?]:
c1ccn2c(c1)nc(c2N=Cc3ccc(cc3)O)c4ccc(cc4)O
InChi [?]:
InChI=1/C20H15N3O2/c24-16-8-4-14(5-9-16)13-21-20-19(15-6-10-17(25)11-7-15)22-18-3-1-2-12-23(18)20/h1-13,24-25H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,17,20,24,14,16,21,23,3,11,12,19,15,22,5,8,9,10,7,4,18,25/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCNCCNCCNCCCCCCCOCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;s4d8;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;s8;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15N3O2
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.08998
Area:506.743
Solvation:-3.57859
Coulombic:-51.5695
Bond Count [?]
All:28
Single:17
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:329.352
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.66
LogP (Chemaxon):5.0

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Descriptor Annotations

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